 Entering Gaussian System, Link 0=g16
 Input=08_d-glucose_conformer021_M11-def2SVPDr.in
 Output=08_d-glucose_conformer021_M11-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            P    1   1.00
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/08_d-glucose/Gau-40182.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/08_d-glucose/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     40203.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                27-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=08_d-glucose_conformer021_M11-def2SVPDr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Sep 27 11:12:43 2021, MaxMem=  6442450944 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer021_M11-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.802701000000      1.185868000000     -0.155223000000
  C                                                -1.539114000000     -0.058168000000      0.301617000000
  C                                                 0.694862000000      1.030292000000      0.045515000000
  C                                                 1.190748000000     -0.254953000000     -0.615577000000
  O                                                 0.429294000000     -1.375454000000     -0.150440000000
  C                                                -0.958807000000     -1.274656000000     -0.405424000000
  O                                                -1.212443000000      2.340377000000      0.564498000000
  H                                                -0.996847000000      1.328656000000     -1.227279000000
  O                                                -2.912981000000      0.125709000000     -0.006195000000
  H                                                -1.394142000000     -0.197407000000      1.379285000000
  H                                                 0.904711000000      0.974487000000      1.119148000000
  O                                                 1.399422000000      2.110875000000     -0.544610000000
  C                                                 2.641121000000     -0.568017000000     -0.289807000000
  H                                                 1.084130000000     -0.152517000000     -1.704362000000
  O                                                -1.593558000000     -2.403373000000      0.110234000000
  H                                                -1.121572000000     -1.189787000000     -1.491375000000
  H                                                -2.171127000000      2.411548000000      0.483789000000
  H                                                -3.392257000000     -0.655851000000      0.292660000000
  H                                                 1.018230000000      2.925417000000     -0.195277000000
  O                                                 2.840914000000     -0.797107000000      1.093949000000
  H                                                 3.260544000000      0.283592000000     -0.566380000000
  H                                                 2.952873000000     -1.437215000000     -0.881027000000
  H                                                -1.324223000000     -3.177621000000     -0.397061000000
  H                                                 2.217854000000     -1.483716000000      1.361779000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Sep 27 11:12:43 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.516124   0.000000
     3  C    1.518945   2.498196   0.000000
     4  C    2.502345   2.886540   1.528005   0.000000
     5  O    2.842218   2.411271   2.428279   1.432371   0.000000
     6  C    2.478134   1.522007   2.872412   2.388419   1.414921
     7  O    1.420837   2.434921   2.371387   3.728759   4.124783
     8  H    1.098811   2.134211   2.137967   2.769038   3.241245
     9  O    2.366311   1.419884   3.719876   4.166154   3.666756
    10  H    2.148946   1.096254   2.765886   3.265646   2.655706
    11  H    2.141018   2.776151   1.095371   2.145370   2.712950
    12  O    2.420043   3.749112   1.418560   2.376073   3.640193
    13  C    3.867058   4.252540   2.540661   1.519117   2.358719
    14  H    2.784104   3.303674   2.147705   1.098778   2.083041
    15  O    3.684912   2.353631   4.126877   3.590943   2.283966
    16  H    2.744215   2.160954   3.254261   2.643437   2.058583
    17  H    1.945049   2.555802   3.211518   4.429564   4.637437
    18  H    3.209101   1.947163   4.428171   4.689301   3.913875
    19  H    2.518616   3.960895   1.937536   3.212657   4.341238
    20  O    4.332269   4.512036   3.007348   2.437100   2.774689
    21  H    4.182477   4.889472   2.741295   2.139277   3.307781
    22  H    4.638070   4.845448   3.470689   2.138526   2.627931
    23  H    4.401194   3.203953   4.688188   3.861971   2.526549
    24  H    4.307171   4.155832   3.220604   2.544551   2.344669
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.751472   0.000000
     8  H    2.730225   2.068943   0.000000
     9  O    2.437048   2.849960   2.570933   0.000000
    10  H    2.129593   2.671561   3.046455   2.081065   0.000000
    11  H    3.294793   2.579851   3.040901   4.069594   2.593402
    12  O    4.128249   2.846863   2.611515   4.777823   4.102869
    13  C    3.670448   4.902912   4.208448   5.604439   4.382530
    14  H    2.668338   4.078786   2.598451   4.351790   3.956353
    15  O    1.393849   4.780666   4.009120   2.854941   2.552752
    16  H    1.101356   4.086188   2.535322   2.673095   3.049558
    17  H    3.981020   0.964704   2.340800   2.452650   2.865705
    18  H    2.606131   3.715221   3.462148   0.964290   2.320213
    19  H    4.646875   2.428051   2.770417   4.829962   4.248625
    20  O    4.112670   5.153041   4.963404   5.930364   4.286812
    21  H    4.500774   5.051422   4.433320   6.200899   5.067847
    22  H    3.943839   5.805997   4.834276   6.133213   5.053976
    23  H    1.937750   5.602267   4.593797   3.686315   3.470154
    24  H    3.641138   5.198681   4.994693   5.548610   3.834242
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.074658   0.000000
    13  C    2.716541   2.963647   0.000000
    14  H    3.045413   2.562689   2.144254   0.000000
    15  O    4.320786   5.455748   4.632609   3.940701   0.000000
    16  H    3.950283   4.259829   3.998528   2.446715   2.064149
    17  H    3.453926   3.727845   5.712617   4.686057   4.863804
    18  H    4.669584   5.596068   6.062065   4.927421   2.514444
    19  H    2.355149   0.964790   3.853154   3.428609   5.942287
    20  O    2.624512   3.635813   1.416750   3.366353   4.817917
    21  H    2.977967   2.608297   1.088768   2.494388   5.589266
    22  H    3.743257   3.887844   1.096465   2.412577   4.752483
    23  H    4.950458   5.950479   4.748209   4.081722   0.964028
    24  H    2.797495   4.150329   1.935303   3.529680   4.115701
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.239393   0.000000
    18  H    2.936644   3.307057   0.000000
    19  H    4.815966   3.301089   5.702277   0.000000
    20  O    4.747567   5.982334   6.286051   4.340676   0.000000
    21  H    4.714807   5.927403   6.773497   3.484958   2.025017
    22  H    4.127329   6.552181   6.499904   4.821375   2.079135
    23  H    2.278174   5.721185   3.333437   6.540250   5.023776
    24  H    4.402119   5.933557   5.770764   4.827419   0.965074
                   21         22         23         24
    21  H    0.000000
    22  H    1.776187   0.000000
    23  H    5.747065   4.642929   0.000000
    24  H    2.815737   2.360634   4.302225   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.802701    1.185868   -0.155223
      2          6           0       -1.539114   -0.058168    0.301617
      3          6           0        0.694862    1.030292    0.045515
      4          6           0        1.190748   -0.254953   -0.615577
      5          8           0        0.429294   -1.375454   -0.150440
      6          6           0       -0.958807   -1.274656   -0.405424
      7          8           0       -1.212443    2.340377    0.564498
      8          1           0       -0.996847    1.328656   -1.227279
      9          8           0       -2.912981    0.125709   -0.006195
     10          1           0       -1.394142   -0.197407    1.379285
     11          1           0        0.904711    0.974487    1.119148
     12          8           0        1.399422    2.110875   -0.544610
     13          6           0        2.641121   -0.568017   -0.289807
     14          1           0        1.084130   -0.152517   -1.704362
     15          8           0       -1.593558   -2.403373    0.110234
     16          1           0       -1.121572   -1.189787   -1.491375
     17          1           0       -2.171127    2.411548    0.483789
     18          1           0       -3.392257   -0.655851    0.292660
     19          1           0        1.018230    2.925417   -0.195277
     20          8           0        2.840914   -0.797107    1.093949
     21          1           0        3.260544    0.283592   -0.566380
     22          1           0        2.952873   -1.437215   -0.881027
     23          1           0       -1.324223   -3.177621   -0.397061
     24          1           0        2.217854   -1.483716    1.361779
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1719254           0.8169867           0.5340835
 Leave Link  202 at Mon Sep 27 11:12:44 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       832.2526422312 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Sep 27 11:12:45 2021, MaxMem=  6442450944 cpu:               5.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.45D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   377   377   377   377   377 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Mon Sep 27 11:12:46 2021, MaxMem=  6442450944 cpu:               3.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Sep 27 11:12:46 2021, MaxMem=  6442450944 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer021_M11-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Sep 27 11:12:47 2021, MaxMem=  6442450944 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442158464 LenY=  6442015139
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -686.395526360200    
 DIIS: error= 3.78D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.395526360200     IErMin= 1 ErrMin= 3.78D-03
 ErrMax= 3.78D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.39D-02 BMatP= 3.39D-02
 IDIUse=3 WtCom= 9.62D-01 WtEn= 3.78D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.468 Goal=   None    Shift=    0.000
 GapD=    0.468 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.23D-03 MaxDP=3.61D-01              OVMax= 2.08D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.23D-03    CP:  9.99D-01
 E= -686.428285615377     Delta-E=       -0.032759255178 Rises=F Damp=F
 DIIS: error= 1.21D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.428285615377     IErMin= 2 ErrMin= 1.21D-03
 ErrMax= 1.21D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.67D-03 BMatP= 3.39D-02
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.21D-02
 Coeff-Com:  0.528D-01 0.947D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.521D-01 0.948D+00
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=1.29D-03 MaxDP=8.62D-02 DE=-3.28D-02 OVMax= 9.55D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.33D-04    CP:  1.00D+00  1.16D+00
 E= -686.429875399764     Delta-E=       -0.001589784386 Rises=F Damp=F
 DIIS: error= 1.03D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -686.429875399764     IErMin= 3 ErrMin= 1.03D-03
 ErrMax= 1.03D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-03 BMatP= 2.67D-03
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.03D-02
 Coeff-Com: -0.682D-01 0.473D+00 0.595D+00
 Coeff-En:   0.000D+00 0.177D+00 0.823D+00
 Coeff:     -0.675D-01 0.470D+00 0.597D+00
 Gap=     0.414 Goal=   None    Shift=    0.000
 RMSDP=3.17D-04 MaxDP=2.72D-02 DE=-1.59D-03 OVMax= 4.08D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.19D-04    CP:  1.01D+00  1.19D+00  1.05D+00
 E= -686.431266813662     Delta-E=       -0.001391413899 Rises=F Damp=F
 DIIS: error= 1.25D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.431266813662     IErMin= 4 ErrMin= 1.25D-04
 ErrMax= 1.25D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-05 BMatP= 2.07D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.25D-03
 Coeff-Com: -0.129D-01 0.213D-01 0.846D-01 0.907D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.129D-01 0.213D-01 0.845D-01 0.907D+00
 Gap=     0.412 Goal=   None    Shift=    0.000
 RMSDP=9.91D-05 MaxDP=3.59D-03 DE=-1.39D-03 OVMax= 1.31D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  7.94D-05    CP:  1.00D+00  1.20D+00  1.11D+00  1.04D+00
 E= -686.431308286927     Delta-E=       -0.000041473265 Rises=F Damp=F
 DIIS: error= 7.12D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.431308286927     IErMin= 5 ErrMin= 7.12D-05
 ErrMax= 7.12D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.94D-06 BMatP= 2.98D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.577D-02-0.589D-01-0.637D-01 0.301D+00 0.816D+00
 Coeff:      0.577D-02-0.589D-01-0.637D-01 0.301D+00 0.816D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=3.59D-05 MaxDP=1.17D-03 DE=-4.15D-05 OVMax= 4.73D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.86D-05    CP:  1.00D+00  1.20D+00  1.13D+00  1.07D+00  1.04D+00
 E= -686.431317428500     Delta-E=       -0.000009141572 Rises=F Damp=F
 DIIS: error= 1.14D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.431317428500     IErMin= 6 ErrMin= 1.14D-05
 ErrMax= 1.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-07 BMatP= 6.94D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.131D-02-0.776D-02-0.125D-01-0.145D-01 0.868D-01 0.947D+00
 Coeff:      0.131D-02-0.776D-02-0.125D-01-0.145D-01 0.868D-01 0.947D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=8.86D-06 MaxDP=5.32D-04 DE=-9.14D-06 OVMax= 1.73D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.77D-06    CP:  1.00D+00  1.20D+00  1.14D+00  1.07D+00  1.09D+00
                    CP:  1.12D+00
 E= -686.431317832707     Delta-E=       -0.000000404207 Rises=F Damp=F
 DIIS: error= 7.12D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.431317832707     IErMin= 7 ErrMin= 7.12D-06
 ErrMax= 7.12D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.21D-08 BMatP= 2.11D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.124D-03 0.339D-02 0.236D-02-0.377D-01-0.556D-01 0.324D+00
 Coeff-Com:  0.763D+00
 Coeff:     -0.124D-03 0.339D-02 0.236D-02-0.377D-01-0.556D-01 0.324D+00
 Coeff:      0.763D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=3.13D-06 MaxDP=2.05D-04 DE=-4.04D-07 OVMax= 5.68D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.74D-06    CP:  1.00D+00  1.20D+00  1.14D+00  1.06D+00  1.11D+00
                    CP:  1.18D+00  1.10D+00
 E= -686.431317892411     Delta-E=       -0.000000059704 Rises=F Damp=F
 DIIS: error= 2.70D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.431317892411     IErMin= 8 ErrMin= 2.70D-06
 ErrMax= 2.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.73D-09 BMatP= 5.21D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.195D-03 0.217D-02 0.249D-02-0.128D-01-0.310D-01-0.232D-02
 Coeff-Com:  0.278D+00 0.764D+00
 Coeff:     -0.195D-03 0.217D-02 0.249D-02-0.128D-01-0.310D-01-0.232D-02
 Coeff:      0.278D+00 0.764D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.07D-06 MaxDP=4.60D-05 DE=-5.97D-08 OVMax= 2.13D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.32D-07    CP:  1.00D+00  1.20D+00  1.14D+00  1.06D+00  1.11D+00
                    CP:  1.20D+00  1.15D+00  1.15D+00
 E= -686.431317899639     Delta-E=       -0.000000007228 Rises=F Damp=F
 DIIS: error= 3.95D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.431317899639     IErMin= 9 ErrMin= 3.95D-07
 ErrMax= 3.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.53D-10 BMatP= 6.73D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.338D-04 0.212D-03 0.411D-03 0.177D-03-0.211D-02-0.290D-01
 Coeff-Com: -0.424D-02 0.178D+00 0.856D+00
 Coeff:     -0.338D-04 0.212D-03 0.411D-03 0.177D-03-0.211D-02-0.290D-01
 Coeff:     -0.424D-02 0.178D+00 0.856D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=3.39D-07 MaxDP=1.07D-05 DE=-7.23D-09 OVMax= 5.36D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.19D-07    CP:  1.00D+00  1.20D+00  1.14D+00  1.06D+00  1.11D+00
                    CP:  1.20D+00  1.18D+00  1.20D+00  1.09D+00
 E= -686.431317900077     Delta-E=       -0.000000000438 Rises=F Damp=F
 DIIS: error= 1.12D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.431317900077     IErMin=10 ErrMin= 1.12D-07
 ErrMax= 1.12D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-11 BMatP= 3.53D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.784D-05-0.128D-03-0.105D-03 0.113D-02 0.210D-02-0.745D-02
 Coeff-Com: -0.238D-01-0.151D-01 0.215D+00 0.829D+00
 Coeff:      0.784D-05-0.128D-03-0.105D-03 0.113D-02 0.210D-02-0.745D-02
 Coeff:     -0.238D-01-0.151D-01 0.215D+00 0.829D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.05D-07 MaxDP=3.38D-06 DE=-4.38D-10 OVMax= 1.41D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  6.21D-08    CP:  1.00D+00  1.20D+00  1.14D+00  1.06D+00  1.11D+00
                    CP:  1.20D+00  1.18D+00  1.22D+00  1.15D+00  1.16D+00
 E= -686.431317900177     Delta-E=       -0.000000000100 Rises=F Damp=F
 DIIS: error= 3.45D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -686.431317900177     IErMin=11 ErrMin= 3.45D-08
 ErrMax= 3.45D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.45D-12 BMatP= 2.98D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.466D-05-0.523D-04-0.634D-04 0.320D-03 0.771D-03 0.895D-04
 Coeff-Com: -0.651D-02-0.183D-01-0.890D-02 0.239D+00 0.793D+00
 Coeff:      0.466D-05-0.523D-04-0.634D-04 0.320D-03 0.771D-03 0.895D-04
 Coeff:     -0.651D-02-0.183D-01-0.890D-02 0.239D+00 0.793D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=3.00D-08 MaxDP=8.54D-07 DE=-1.00D-10 OVMax= 4.78D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.74D-08    CP:  1.00D+00  1.20D+00  1.14D+00  1.06D+00  1.11D+00
                    CP:  1.20D+00  1.18D+00  1.22D+00  1.17D+00  1.22D+00
                    CP:  1.09D+00
 E= -686.431317900113     Delta-E=        0.000000000064 Rises=F Damp=F
 DIIS: error= 2.06D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -686.431317900177     IErMin=12 ErrMin= 2.06D-08
 ErrMax= 2.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.18D-13 BMatP= 3.45D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.118D-05-0.697D-05-0.150D-04-0.461D-05 0.652D-04 0.921D-03
 Coeff-Com:  0.379D-03-0.517D-02-0.315D-01-0.120D-01 0.324D+00 0.723D+00
 Coeff:      0.118D-05-0.697D-05-0.150D-04-0.461D-05 0.652D-04 0.921D-03
 Coeff:      0.379D-03-0.517D-02-0.315D-01-0.120D-01 0.324D+00 0.723D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.01D-08 MaxDP=3.51D-07 DE= 6.43D-11 OVMax= 1.81D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  6.73D-09    CP:  1.00D+00  1.20D+00  1.14D+00  1.06D+00  1.11D+00
                    CP:  1.20D+00  1.18D+00  1.22D+00  1.17D+00  1.24D+00
                    CP:  1.15D+00  1.16D+00
 E= -686.431317900127     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 4.48D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -686.431317900177     IErMin=13 ErrMin= 4.48D-09
 ErrMax= 4.48D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.19D-14 BMatP= 7.18D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.279D-06 0.470D-05 0.410D-05-0.424D-04-0.830D-04 0.246D-03
 Coeff-Com:  0.940D-03 0.863D-03-0.792D-02-0.332D-01-0.519D-02 0.216D+00
 Coeff-Com:  0.828D+00
 Coeff:     -0.279D-06 0.470D-05 0.410D-05-0.424D-04-0.830D-04 0.246D-03
 Coeff:      0.940D-03 0.863D-03-0.792D-02-0.332D-01-0.519D-02 0.216D+00
 Coeff:      0.828D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=3.82D-09 MaxDP=1.43D-07 DE=-1.43D-11 OVMax= 6.25D-08

 SCF Done:  E(RM11) =  -686.431317900     A.U. after   13 cycles
            NFock= 13  Conv=0.38D-08     -V/T= 2.0106
 KE= 6.792335040344D+02 PE=-3.271799276882D+03 EE= 1.073881812716D+03
 Leave Link  502 at Mon Sep 27 11:17:16 2021, MaxMem=  6442450944 cpu:            2145.7 elap:             268.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.43376598D+02

 Leave Link  801 at Mon Sep 27 11:17:17 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7279 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          24
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 1.40D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 1.19D-01 4.11D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 2.24D-02 1.63D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 2.96D-03 6.46D-03.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 3.92D-04 1.66D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 3.51D-05 6.58D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 1.73D-06 1.50D-04.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 6.84D-08 2.81D-05.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 2.31D-09 3.24D-06.
     11 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 8.90D-11 6.66D-07.
      8 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 2.95D-12 1.35D-07.
      2 vectors produced by pass 11 Test12= 2.45D-13 8.33D-09 XBig12= 8.28D-14 2.13D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   120 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.107458D+03
      2  0.956585D+00  0.100890D+03
      3 -0.170479D+01  0.115311D+00  0.851294D+02
 Isotropic polarizability for W=    0.088559       97.83 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.202311D+02 -0.134626D+02  0.114781D+02
      2  -0.219213D+02  0.121412D+02  0.845622D+01
      3   0.169018D+01  0.132140D+01 -0.199344D+02
      4  -0.129345D+02 -0.705860D+01 -0.102654D+02
      5  -0.870993D+01 -0.941746D+01  0.279464D+02
      6  -0.740021D+01 -0.101057D+02 -0.419143D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.188846D+01 -0.849260D+01 -0.141170D+01
      2   0.110672D+02 -0.333554D+01  0.136503D+02
      3   0.300766D+01 -0.795460D+01  0.163387D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.847898D+00 -0.185619D+02  0.551283D+01
      2   0.201881D+02 -0.286515D+01  0.262562D+02
      3   0.528171D+00 -0.148627D+02  0.201725D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.638860D+00 -0.440378D+00  0.356135D+00
      2  -0.440378D+00  0.104488D+01  0.259770D-03
      3   0.356135D+00  0.259770D-03 -0.219227D+00
 OR G Eigenvalues:    -0.9189    -0.0528     1.1586  Iso=    -0.0623
 Eigenvectors:
   (1)   0.873885   0.196024  -0.444859
   (2)   0.417237   0.167175   0.893289
   (3)  -0.249475   0.966244  -0.064303
 w=    0.088559 a.u., Optical Rotation Beta=     -0.0623 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =      -17.53 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 4.10D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.64D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.02D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 6.68D-02 1.96D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 4.46D-03 5.94D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 7.58D-05 7.73D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 1.94D-06 1.09D-04.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 3.21D-08 1.46D-05.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 3.93D-10 1.73D-06.
     30 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 4.58D-12 1.66D-07.
     24 vectors produced by pass  8 Test12= 4.08D-14 2.78D-09 XBig12= 4.10D-14 1.40D-08.
      2 vectors produced by pass  9 Test12= 4.08D-14 2.78D-09 XBig12= 2.35D-15 3.25D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   266 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.23D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.23D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 8.25D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.107458D+03  0.956585D+00 -0.170479D+01
      2   0.956585D+00  0.100890D+03  0.115311D+00
      3  -0.170479D+01  0.115311D+00  0.851294D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.188846D+01 -0.849260D+01 -0.141170D+01
      2   0.110672D+02 -0.333554D+01  0.136503D+02
      3   0.300766D+01 -0.795460D+01  0.163387D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.202311D+02 -0.134626D+02  0.114781D+02
      2  -0.219213D+02  0.121412D+02  0.845622D+01
      3   0.169018D+01  0.132140D+01 -0.199344D+02
      4  -0.129345D+02 -0.705860D+01 -0.102654D+02
      5  -0.870993D+01 -0.941746D+01  0.279464D+02
      6  -0.740021D+01 -0.101057D+02 -0.419143D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.398181D+01  0.612912D+00  0.407327D-02 -0.138371D+00  0.258500D+01
      2   0.612912D+00  0.296128D+01  0.815572D-01  0.258500D+01 -0.102821D+01
      3   0.407327D-02  0.815572D-01  0.100435D+01  0.427172D+00 -0.150280D+01
                 6             7             8             9            10 
      1   0.427172D+00 -0.338401D+00  0.388046D+00  0.136825D+01  0.385323D+01
      2  -0.150280D+01  0.388046D+00 -0.242048D+01 -0.126563D+01 -0.537597D+00
      3  -0.352544D+00  0.136825D+01 -0.126563D+01  0.731004D+01  0.288130D+00
                11            12            13            14            15 
      1  -0.537597D+00  0.288130D+00 -0.911816D+00 -0.288554D+01 -0.235656D+00
      2  -0.264256D+01 -0.118969D+00 -0.288554D+01 -0.360110D+00  0.107696D+01
      3  -0.118969D+00 -0.239947D+01 -0.235656D+00  0.107696D+01  0.153117D+01
                16            17            18            19            20 
      1   0.997055D+00 -0.344863D+00 -0.151451D+01  0.338889D+01 -0.478123D+00
      2  -0.344863D+00  0.155353D+01  0.979557D+00 -0.478123D+00 -0.278522D+01
      3  -0.151451D+01  0.979557D+00 -0.701066D+01  0.193675D+00  0.321578D+00
                21            22            23            24            25 
      1   0.193675D+00 -0.737387D+00 -0.327695D+01  0.130358D+00  0.622640D+00
      2   0.321578D+00 -0.327695D+01  0.109867D+01  0.153020D+01  0.463215D+00
      3  -0.928191D+00  0.130358D+00  0.153020D+01  0.134857D+01 -0.154665D+01
                26            27            28            29            30 
      1   0.463215D+00 -0.154665D+01 -0.248519D+01  0.189459D+01 -0.816297D+00
      2   0.217098D+01  0.100051D+01  0.189459D+01  0.232751D+01  0.943762D-02
      3   0.100051D+01 -0.680396D+01 -0.816297D+00  0.943762D-02  0.328027D+00
                31            32            33            34            35 
      1   0.232752D+01  0.342703D+01  0.714748D+00 -0.205479D+01  0.501531D+00
      2   0.342703D+01 -0.138149D+01 -0.176041D+01  0.501531D+00 -0.206723D+01
      3   0.714748D+00 -0.176041D+01 -0.171155D+01  0.355652D+00 -0.719418D+00
                36            37            38            39            40 
      1   0.355652D+00  0.532601D+01 -0.136157D+01 -0.780554D-01 -0.312802D+01
      2  -0.719418D+00 -0.136157D+01  0.207908D+00 -0.328222D+00 -0.969121D+00
      3   0.670203D+01 -0.780554D-01 -0.328222D+00 -0.378195D+00 -0.200904D+00
                41            42            43            44            45 
      1  -0.969121D+00 -0.200904D+00  0.221323D+01  0.473616D+00  0.179367D+00
      2  -0.368005D+01  0.783798D+00  0.473616D+00  0.135425D+01 -0.509993D+00
      3   0.783798D+00  0.717864D+00  0.179367D+00 -0.509993D+00 -0.739505D+00
                46            47            48            49            50 
      1  -0.430203D+01 -0.960821D+00  0.402840D-01  0.112546D+01  0.264648D+01
      2  -0.960821D+00  0.124829D+01  0.570046D+00  0.264648D+01 -0.104617D+01
      3   0.402840D-01  0.570046D+00  0.147176D+01 -0.824285D-01 -0.112069D+01
                51            52            53            54            55 
      1  -0.824285D-01 -0.930262D+00 -0.657409D-01  0.167089D+01  0.487000D+01
      2  -0.112069D+01 -0.657409D-01 -0.182757D+01 -0.818113D+00 -0.253155D-01
      3  -0.202641D+01  0.167089D+01 -0.818113D+00  0.688639D+01  0.487099D+00
                56            57            58            59            60 
      1  -0.253155D-01  0.487099D+00  0.848886D+00 -0.147054D+01 -0.363826D+00
      2   0.552824D+00  0.259402D+00 -0.147054D+01  0.671774D+01  0.185322D+01
      3   0.259402D+00  0.518603D+00 -0.363826D+00  0.185322D+01  0.266571D+00
                61            62            63            64            65 
      1   0.133325D+01 -0.800384D+00 -0.729743D+00 -0.131325D+00  0.130901D+00
      2  -0.800384D+00  0.280921D+01  0.199026D+01  0.130901D+00 -0.873037D+00
      3  -0.729743D+00  0.199026D+01  0.784091D+00 -0.120249D+01  0.180751D+00
                66            67            68            69            70 
      1  -0.120249D+01  0.263706D+00 -0.767474D+00  0.147530D+00 -0.188816D+01
      2   0.180751D+00 -0.767474D+00  0.788835D+00 -0.109417D+01  0.324421D+00
      3  -0.807592D+00  0.147530D+00 -0.109417D+01  0.620234D+00 -0.100573D+01
                71            72            73            74            75 
      1   0.324421D+00 -0.100573D+01 -0.667151D+01  0.208309D+01 -0.330742D+00
      2  -0.174119D+01  0.102344D+01  0.208309D+01  0.866132D+00 -0.465654D+00
      3   0.102344D+01 -0.703578D+01 -0.330742D+00 -0.465654D+00  0.711823D+00
                76            77            78            79            80 
      1   0.480575D+01  0.436646D+00 -0.571544D+00 -0.244478D+01 -0.606193D+00
      2   0.436646D+00  0.338085D+01 -0.971708D+00 -0.606193D+00 -0.137905D+01
      3  -0.571544D+00 -0.971708D+00  0.595812D+00 -0.928780D+00  0.409892D+00
                81            82            83            84            85 
      1  -0.928780D+00 -0.817043D-01 -0.313707D-01  0.119784D+01 -0.164104D+00
      2   0.409892D+00 -0.313707D-01  0.601524D+00 -0.288954D-01  0.578030D+00
      3   0.831843D-02  0.119784D+01 -0.288954D-01  0.738060D+00 -0.223168D-01
                86            87            88            89            90 
      1   0.578030D+00 -0.223168D-01  0.190285D+01  0.130329D+00  0.207221D-01
      2  -0.524327D+00  0.925958D+00  0.130329D+00  0.143194D+01 -0.672422D+00
      3   0.925958D+00 -0.832088D+00  0.207221D-01 -0.672422D+00  0.754596D+01
                91            92            93            94            95 
      1   0.395458D+00 -0.671456D-01  0.115049D+01  0.475400D-01  0.898833D+00
      2  -0.671456D-01  0.904147D+00  0.564769D-01  0.898833D+00 -0.244822D+00
      3   0.115049D+01  0.564769D-01  0.673311D+00  0.579265D-01  0.924025D+00
                96            97            98            99           100 
      1   0.579265D-01  0.202416D+01 -0.928443D-01  0.116747D+01  0.372790D+01
      2   0.924025D+00 -0.928443D-01  0.159116D+01  0.972207D-02  0.194086D+01
      3  -0.156361D+00  0.116747D+01  0.972207D-02  0.664403D+01 -0.117913D+01
               101           102           103           104           105 
      1   0.194086D+01 -0.117913D+01  0.799376D+00  0.334945D+01 -0.864918D-01
      2   0.418595D+01 -0.471493D-01  0.334945D+01 -0.524793D+00 -0.177479D+01
      3  -0.471493D-01  0.629481D+00 -0.864918D-01 -0.177479D+01 -0.780297D+00
               106           107           108           109           110 
      1  -0.160756D+01 -0.625581D+00  0.146672D+01  0.285707D+01 -0.221183D+01
      2  -0.625581D+00 -0.355579D+01  0.801705D+00 -0.221183D+01 -0.252762D+01
      3   0.146672D+01  0.801705D+00 -0.665969D+00  0.163027D+01 -0.254931D+00
               111           112           113           114           115 
      1   0.163027D+01 -0.192218D+01 -0.404101D+01 -0.641016D+00  0.308497D+01
      2  -0.254931D+00 -0.404101D+01  0.961495D+00  0.360733D+01 -0.902166D+00
      3  -0.868411D+00 -0.641016D+00  0.360733D+01  0.186783D+01 -0.284551D+01
               116           117           118           119           120 
      1  -0.902166D+00 -0.284551D+01  0.459979D+00 -0.168154D+00 -0.135930D+01
      2   0.384999D+01  0.252557D+01 -0.168154D+00 -0.403558D+00  0.549489D-01
      3   0.252557D+01 -0.680849D+00 -0.135930D+01  0.549489D-01 -0.256926D+00
               121           122           123           124           125 
      1  -0.103033D+00 -0.358116D+00 -0.165827D+00 -0.188631D+01 -0.243838D+00
      2  -0.358116D+00  0.616941D+00 -0.108888D+01 -0.243838D+00 -0.132684D+01
      3  -0.165827D+00 -0.108888D+01  0.561769D+00  0.463612D+00  0.337334D+00
               126           127           128           129           130 
      1   0.463612D+00 -0.257913D+01 -0.182396D+01  0.860400D+00 -0.145102D+01
      2   0.337334D+00 -0.182396D+01 -0.327870D+01 -0.248258D+00 -0.238649D+01
      3  -0.825470D+01  0.860400D+00 -0.248258D+00 -0.393399D+00 -0.597260D-01
               131           132           133           134           135 
      1  -0.238649D+01 -0.597260D-01  0.181322D+01  0.571592D+00 -0.118897D+01
      2   0.128978D+01  0.230363D+01  0.571592D+00  0.497751D+01 -0.199098D+00
      3   0.230363D+01  0.102486D+01 -0.118897D+01 -0.199098D+00  0.113288D+01
               136           137           138           139           140 
      1  -0.447623D+00 -0.478049D-02 -0.137242D+01  0.863087D-01 -0.625163D+00
      2  -0.478049D-02 -0.398934D+00 -0.263619D+00 -0.625163D+00  0.711409D-01
      3  -0.137242D+01 -0.263619D+00 -0.880147D+00  0.424300D-01 -0.101276D+01
               141           142           143           144           145 
      1   0.424300D-01 -0.225920D+01 -0.511552D+00 -0.140731D+01 -0.698025D+01
      2  -0.101276D+01 -0.511552D+00 -0.152488D+01 -0.459577D+00  0.254212D+01
      3   0.397300D+00 -0.140731D+01 -0.459577D+00 -0.754741D+01  0.586993D+00
               146           147           148           149           150 
      1   0.254212D+01  0.586993D+00  0.128014D+01 -0.112289D+01 -0.136774D+00
      2  -0.273713D+01 -0.518238D+00 -0.112289D+01  0.112388D+01 -0.145135D-01
      3  -0.518238D+00 -0.110656D+01 -0.136774D+00 -0.145135D-01  0.415328D+00
               151           152           153           154           155 
      1  -0.196750D+00  0.244496D-01 -0.629843D+00 -0.441280D+01 -0.205943D+01
      2   0.244496D-01 -0.195228D+00  0.444282D+00 -0.205943D+01 -0.199142D+01
      3  -0.629843D+00  0.444282D+00  0.398329D+00  0.663104D+00  0.395649D+00
               156           157           158           159           160 
      1   0.663104D+00 -0.403625D+01 -0.238555D+01  0.586759D+00  0.149661D+01
      2   0.395649D+00 -0.238555D+01 -0.304039D+01  0.660768D+00  0.769105D+00
      3  -0.974364D+00  0.586759D+00  0.660768D+00 -0.810076D+00 -0.106311D+01
               161           162           163           164           165 
      1   0.769105D+00 -0.106311D+01 -0.643403D+00  0.641982D+00  0.333982D+00
      2   0.986760D+00 -0.564083D+00  0.641982D+00 -0.183245D+01 -0.120307D+00
      3  -0.564083D+00  0.491821D+00  0.333982D+00 -0.120307D+00 -0.256019D+00
               166           167           168           169           170 
      1   0.134259D+01 -0.139724D+00 -0.175483D+00  0.589033D+00 -0.384079D-01
      2  -0.139724D+00  0.726919D+01  0.703277D+00 -0.384079D-01  0.193484D+01
      3  -0.175483D+00  0.703277D+00  0.122373D+01 -0.828481D-01  0.997393D+00
               171           172           173           174           175 
      1  -0.828481D-01  0.344865D+01  0.781972D+00  0.160017D+01  0.159117D+01
      2   0.997393D+00  0.781972D+00  0.196102D+01 -0.107008D+01  0.191640D+01
      3   0.253872D+00  0.160017D+01 -0.107008D+01  0.225848D+01 -0.562456D+00
               176           177           178           179           180 
      1   0.191640D+01 -0.562456D+00  0.116048D+01 -0.642309D+00  0.326938D+01
      2   0.146897D+01  0.185883D+00 -0.642309D+00 -0.535504D+00 -0.872088D+00
      3   0.185883D+00  0.113722D+01  0.326938D+01 -0.872088D+00  0.402422D+01
               181           182           183           184           185 
      1   0.426329D+01  0.231298D+01 -0.111350D+01  0.372588D+01  0.233727D+01
      2   0.231298D+01  0.187446D+01 -0.360559D+00  0.233727D+01  0.349832D+01
      3  -0.111350D+01 -0.360559D+00  0.109671D+01 -0.552226D+00 -0.129007D+01
               186           187           188           189           190 
      1  -0.552226D+00 -0.144620D+01 -0.340525D+00  0.140314D+01  0.209758D+01
      2  -0.129007D+01 -0.340525D+00 -0.107881D+01  0.776001D+00 -0.151498D+01
      3   0.108135D+01  0.140314D+01  0.776001D+00 -0.805595D+00 -0.158670D+01
               191           192           193           194           195 
      1  -0.151498D+01 -0.158670D+01 -0.273256D+01  0.311938D+01  0.132750D+01
      2   0.154227D+01  0.672404D+00  0.311938D+01 -0.524947D+01 -0.275013D+01
      3   0.672404D+00  0.987110D+00  0.132750D+01 -0.275013D+01 -0.286518D+01
               196           197           198           199           200 
      1  -0.223030D+01  0.132610D+01  0.188897D+01 -0.123995D+00 -0.732843D+00
      2   0.132610D+01 -0.250720D+01 -0.252846D+01 -0.732843D+00  0.174233D+01
      3   0.188897D+01 -0.252846D+01 -0.344836D+01 -0.308137D+00  0.373497D+00
               201           202           203           204           205 
      1  -0.308137D+00 -0.106802D+01 -0.125640D+00  0.111346D+00 -0.619545D+00
      2   0.373497D+00 -0.125640D+00 -0.835982D+01 -0.163092D+01 -0.748319D-01
      3   0.263609D+00  0.111346D+00 -0.163092D+01 -0.147349D+01  0.419359D-01
               206           207           208           209           210 
      1  -0.748319D-01  0.419359D-01 -0.184728D+01 -0.963499D+00  0.310253D+00
      2  -0.376572D+01 -0.176614D+01 -0.963499D+00 -0.150502D+01  0.849132D+00
      3  -0.176614D+01 -0.100612D+01  0.310253D+00  0.849132D+00 -0.143206D+01
               211           212           213           214           215 
      1  -0.185159D+01 -0.740324D+00  0.310908D+00  0.664778D+00  0.316832D+00
      2  -0.740324D+00 -0.284615D+01  0.145678D+01  0.316832D+00  0.126531D+01
      3   0.310908D+00  0.145678D+01 -0.178161D+01 -0.353112D+00 -0.920650D+00
               216 
      1  -0.353112D+00
      2  -0.920650D+00
      3   0.181695D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.999552D-01  0.181404D+00 -0.207388D+01 -0.634734D+00  0.898218D+00
      2  -0.301846D+00 -0.719903D-01  0.136313D+00  0.406873D+00  0.170688D+01
      3  -0.296431D+01 -0.671129D+00 -0.255654D+00  0.492186D+01  0.186333D+01
                 6             7             8             9            10 
      1   0.662070D+00 -0.139495D+01  0.456143D+01 -0.677415D+01 -0.368209D+00
      2   0.102634D+01 -0.392918D+01  0.654937D+00 -0.499529D+01 -0.208253D+01
      3  -0.714159D+00  0.744973D-01 -0.160823D+01  0.313099D+00 -0.123616D+01
                11            12            13            14            15 
      1  -0.130904D+01 -0.566239D+00  0.119772D+00 -0.380456D-01 -0.201318D+01
      2  -0.552115D+00  0.298891D+01 -0.380047D-01 -0.167933D+01 -0.270451D+01
      3  -0.615912D+01 -0.217732D+00 -0.264470D+00  0.386037D+00  0.194275D+01
                16            17            18            19            20 
      1  -0.818534D+00  0.374850D+01 -0.123596D+01 -0.359916D+00 -0.192395D+00
      2  -0.149851D+01 -0.148551D+01  0.993270D+01 -0.208704D+00  0.880056D+00
      3  -0.378640D+00  0.233645D+01  0.193918D+01  0.360345D+01 -0.131276D+01
                21            22            23            24            25 
      1   0.249647D+01 -0.648991D-01 -0.199267D+01 -0.229288D+01  0.229925D+01
      2   0.120560D+01 -0.748352D+00  0.822343D+00 -0.371153D+00 -0.476192D+01
      3  -0.416438D-01  0.462941D+01 -0.487220D+01 -0.208102D+01  0.305062D+00
                26            27            28            29            30 
      1   0.212950D+01  0.566952D+01 -0.181899D+01 -0.729024D+00  0.984415D+00
      2   0.595345D+00 -0.305684D+01 -0.719221D+01  0.326038D+01 -0.307151D+00
      3  -0.124634D+01 -0.264623D+01 -0.565704D+01 -0.814641D+01 -0.785816D+00
                31            32            33            34            35 
      1  -0.893059D+00  0.527656D+00  0.146488D+01 -0.165857D+00  0.412427D+01
      2   0.237541D+01 -0.139251D+01 -0.362398D+01 -0.518684D+01  0.843211D-01
      3  -0.452324D+01  0.160512D+01  0.345444D+01 -0.342262D-01  0.306805D+01
                36            37            38            39            40 
      1  -0.335099D+00  0.132559D+01 -0.399118D-01 -0.159536D+01  0.141690D+01
      2   0.107852D+02  0.311116D+01 -0.670290D+00  0.868500D+01 -0.194033D+01
      3   0.202271D+01 -0.797928D+01 -0.461242D+01  0.164364D+00  0.140489D+02
                41            42            43            44            45 
      1   0.223201D+01 -0.554763D+01  0.182321D+01  0.186652D+01  0.104531D+01
      2  -0.116832D+01  0.168750D+01 -0.484221D+01 -0.120590D+01  0.245804D+00
      3   0.491060D+01 -0.433176D+00 -0.267755D+01 -0.122829D+01 -0.380597D+00
                46            47            48            49            50 
      1   0.673080D+00 -0.780508D+00  0.211339D+01 -0.979066D+00 -0.244953D+01
      2  -0.238361D+01 -0.127604D+01 -0.506768D+01 -0.246692D+00  0.286055D+01
      3   0.504643D+01  0.434644D+01 -0.549369D-01  0.306231D+01 -0.224581D+01
                51            52            53            54            55 
      1  -0.104522D+01  0.741716D+00  0.194026D+01  0.760718D+01 -0.918846D+00
      2   0.156557D+01 -0.623505D+01 -0.387053D+00 -0.866696D+01 -0.517810D+01
      3  -0.204205D+01  0.106321D+01 -0.152700D+01 -0.341720D+01  0.158225D+02
                56            57            58            59            60 
      1   0.221871D+00 -0.338504D+00  0.167536D+01 -0.213785D+01 -0.603986D+01
      2   0.193311D+01  0.189902D+01  0.276175D+00 -0.253513D+01 -0.159241D+01
      3  -0.283434D+01  0.598615D-01  0.543382D+01  0.635712D+01  0.101087D+01
                61            62            63            64            65 
      1   0.681433D+00  0.421010D+00 -0.300094D+01  0.117270D+01  0.325127D+00
      2  -0.347447D+01 -0.164665D+01 -0.146171D+01  0.971384D+00 -0.234874D+00
      3   0.303947D+01  0.253485D+01  0.108627D+01 -0.247598D-02 -0.151307D+01
                66            67            68            69            70 
      1   0.626328D+00  0.939216D-01  0.124377D+01 -0.902237D+00  0.872604D+00
      2   0.152461D+01  0.101404D+00  0.520728D+00 -0.112414D+00 -0.276530D+01
      3  -0.114819D+01  0.755929D+00 -0.264809D+00 -0.826165D+00 -0.242502D+01
                71            72            73            74            75 
      1   0.291229D+01  0.885400D+01  0.509601D+00  0.438534D-01  0.552146D+00
      2  -0.488832D+00  0.632771D+01  0.419047D+01  0.189974D+01  0.447986D+01
      3  -0.158969D+01 -0.143972D+00  0.864232D+01 -0.229726D+01 -0.199693D+01
                76            77            78            79            80 
      1  -0.953140D+00  0.991602D+00 -0.193111D+01  0.785775D+00  0.276794D+01
      2   0.168219D+01  0.285975D+01 -0.289656D+01 -0.163378D+01 -0.171152D+01
      3   0.719866D+01  0.147371D+02 -0.300773D+01 -0.218311D+01 -0.522410D+01
                81            82            83            84            85 
      1   0.352323D-01  0.129645D+00  0.802123D+00  0.114291D+00  0.462939D+00
      2   0.205410D+01 -0.287210D+01  0.232566D+00 -0.124926D+01  0.616379D+00
      3   0.135744D+01 -0.932138D-01  0.431320D-01 -0.287437D+00  0.175933D+01
                86            87            88            89            90 
      1  -0.367144D+00 -0.104443D+01  0.158023D+00  0.332802D+01  0.898305D+00
      2  -0.164986D+01  0.130013D+01 -0.423708D+01  0.846286D+00 -0.113862D+02
      3  -0.729374D+00  0.143070D+01 -0.386875D+00  0.201955D+01 -0.641655D+00
                91            92            93            94            95 
      1  -0.160728D+01  0.629801D+00 -0.855088D+00  0.336504D+00 -0.135242D+01
      2   0.211156D+00  0.375813D+00  0.475151D+00  0.703992D+00  0.228187D+00
      3   0.806666D+00 -0.162982D+01  0.122004D+01  0.319164D+00  0.818473D+00
                96            97            98            99           100 
      1  -0.174702D-02 -0.166193D+01  0.348038D+01 -0.735481D+01  0.217963D+01
      2  -0.351913D-01 -0.321795D+01  0.199821D+00  0.391933D+01 -0.278222D+00
      3  -0.650991D+00  0.221400D+01 -0.158313D+01  0.122002D+01  0.750574D+01
               101           102           103           104           105 
      1  -0.187042D+01 -0.335687D+01 -0.651806D+00  0.671659D+01 -0.168431D+01
      2  -0.251824D+00  0.417945D+01  0.890378D+00 -0.136449D+01  0.106566D+01
      3  -0.911779D+01 -0.237398D+01  0.216294D+00  0.931083D+01  0.279648D+01
               106           107           108           109           110 
      1  -0.260329D+01  0.462736D+01  0.335163D+01  0.291850D+01  0.132183D+01
      2  -0.137884D+01  0.791178D+00 -0.139894D+01  0.952947D+01 -0.336161D+01
      3  -0.441795D+01  0.488967D+01  0.198308D+01  0.676005D+01  0.760482D+01
               111           112           113           114           115 
      1  -0.962123D+00  0.152391D+01  0.144999D+01 -0.383485D+01 -0.123487D+01
      2   0.970865D+00 -0.396184D+01  0.821488D+01  0.556459D+01 -0.770553D+01
      3  -0.656809D-01  0.177387D+02 -0.580376D+00 -0.956817D+01  0.611593D+00
               116           117           118           119           120 
      1  -0.201038D+01 -0.221450D+01 -0.680730D-03  0.900339D+00  0.279443D+00
      2   0.672543D+01 -0.422983D+01 -0.225801D+01 -0.253673D+00 -0.538277D+00
      3  -0.101667D+02 -0.566969D+01  0.272022D+00  0.546019D-01  0.258444D+00
               121           122           123           124           125 
      1   0.183701D+00 -0.143470D+01  0.142181D+00  0.294662D+00  0.425453D+01
      2  -0.777671D-01 -0.204984D+01  0.810973D+00 -0.503441D+01  0.415535D+00
      3   0.209800D+01 -0.159766D+01  0.164562D+01  0.622436D+00  0.208787D+01
               126           127           128           129           130 
      1  -0.120366D+01  0.167922D+01 -0.405859D+00 -0.293260D+01  0.861838D+00
      2  -0.118756D+02 -0.215892D+01 -0.103441D+00  0.427888D+01  0.348834D+00
      3  -0.155916D+01  0.511530D+01 -0.690511D+01 -0.246732D+01  0.379287D+01
               131           132           133           134           135 
      1   0.985731D+01 -0.228388D+01 -0.195333D+01  0.504061D+01  0.530196D+01
      2  -0.420821D+01  0.394388D+00 -0.422309D+00  0.269488D+00 -0.247197D+01
      3   0.797844D+01  0.415057D+01 -0.497180D+01  0.792297D+01  0.294065D+01
               136           137           138           139           140 
      1  -0.202061D+01  0.117234D+00 -0.897470D+00  0.514587D+00 -0.167408D+01
      2   0.130379D+01  0.655392D+00  0.122020D+01  0.815170D+00  0.863544D+00
      3   0.101044D+01 -0.183792D+01  0.171860D+01 -0.205861D+00  0.151169D+01
               141           142           143           144           145 
      1   0.743638D+00 -0.894108D+00  0.446113D+01 -0.872234D+01 -0.175581D+00
      2  -0.916945D+00 -0.302837D+01 -0.111516D+00  0.905083D+01  0.431910D+01
      3  -0.114629D+01  0.293555D+01 -0.161071D+01  0.227287D+01 -0.172992D+02
               146           147           148           149           150 
      1  -0.177604D+00  0.266229D+01 -0.799340D-01  0.269344D+00 -0.779346D+00
      2  -0.935190D+00  0.236603D+01 -0.637670D+00  0.663591D+00 -0.692143D+00
      3   0.363391D+00  0.700846D+00  0.153192D+01 -0.210913D+01 -0.569481D+00
               151           152           153           154           155 
      1   0.127715D+01 -0.119841D+00 -0.655848D+00 -0.547212D-02  0.537909D-01
      2   0.466260D+00 -0.721546D+00 -0.322411D+00 -0.205347D+01 -0.143067D+01
      3  -0.936154D+00 -0.448976D+00 -0.631206D+00 -0.702083D+01 -0.751914D+01
               156           157           158           159           160 
      1  -0.610075D+00  0.256353D+00 -0.805854D+00 -0.770944D+00 -0.303779D+00
      2   0.333555D+01 -0.200673D+01 -0.237847D+01  0.325753D+01  0.213497D+01
      3   0.153550D+01 -0.712800D+01 -0.126403D+02  0.241859D+01  0.277509D+01
               161           162           163           164           165 
      1   0.726897D+00  0.330721D+00 -0.158986D+01  0.181913D+01  0.141883D+01
      2   0.176403D+01 -0.131062D+01  0.240385D+00 -0.248913D-01 -0.465544D+00
      3   0.382931D+01 -0.156061D+01 -0.461968D+01  0.470598D+01  0.170812D+01
               166           167           168           169           170 
      1   0.106296D+01 -0.620401D+01 -0.447680D+01  0.597784D+00 -0.287162D+01
      2  -0.354111D-01  0.732175D+00  0.113727D+01 -0.107276D+01  0.100949D+01
      3   0.546545D+01 -0.126660D+02 -0.206820D+01  0.267031D+01 -0.384482D+01
               171           172           173           174           175 
      1  -0.141451D+01  0.246254D+01  0.260551D+01  0.151804D+01  0.132019D+01
      2   0.322336D+00 -0.293409D+00 -0.549945D+01  0.113142D+02 -0.400933D+01
      3  -0.175888D+01 -0.734157D+01 -0.999418D+01  0.269482D+01 -0.575186D+01
               176           177           178           179           180 
      1   0.332014D+01 -0.331232D+01  0.639785D+00  0.464998D+01  0.514934D+01
      2  -0.183169D+01  0.372620D+01  0.394904D+01 -0.605399D+00  0.133927D+02
      3  -0.550534D+01  0.126935D+00  0.139320D+01  0.107603D+01 -0.740315D-01
               181           182           183           184           185 
      1  -0.201249D+01 -0.155085D+01 -0.257569D+00 -0.171682D+01 -0.316686D+01
      2  -0.809481D+00  0.144612D+00  0.379035D+01  0.999369D+00 -0.260057D+01
      3  -0.829159D+01 -0.800379D+01  0.168430D+01 -0.694468D+01 -0.140425D+02
               186           187           188           189           190 
      1   0.481640D-01  0.423857D+00  0.220551D+01 -0.659007D+00  0.119786D+00
      2   0.392562D+01  0.198171D+01  0.211592D+01 -0.140053D+01 -0.317460D+01
      3   0.425892D+01  0.144628D+01  0.380430D+01 -0.293631D+01  0.248311D+01
               191           192           193           194           195 
      1  -0.107866D+01  0.754839D+00 -0.131419D+01  0.300072D+01 -0.209015D+01
      2   0.120442D+01  0.256412D+01  0.101562D+01 -0.579644D+01 -0.842239D+01
      3  -0.470227D+01 -0.103939D+01 -0.463813D+01  0.136321D+02  0.693298D+01
               196           197           198           199           200 
      1   0.417780D+00  0.133295D+01 -0.174269D+01 -0.472787D+00  0.161136D+01
      2   0.214630D+01 -0.643162D+01 -0.916850D+01  0.701614D+00 -0.340745D+00
      3  -0.143449D+01  0.672310D+01  0.614587D+01 -0.205458D+01  0.387306D+01
               201           202           203           204           205 
      1   0.145962D+01  0.382774D+00 -0.631638D+01 -0.532215D+01  0.395785D+00
      2  -0.264899D+00 -0.512249D+00  0.243781D+01  0.198099D+01 -0.994714D+00
      3   0.143559D+01  0.385389D+01 -0.139866D+02 -0.338084D+01  0.215584D+01
               206           207           208           209           210 
      1  -0.490723D+01 -0.309953D+01 -0.191953D+01 -0.249911D+01 -0.534314D+00
      2   0.239931D+01  0.127860D+01  0.581381D+01  0.447818D+01 -0.493826D+01
      3  -0.644761D+01 -0.323862D+01  0.700941D+01  0.581554D+01 -0.250256D+01
               211           212           213           214           215 
      1  -0.207120D+01 -0.262528D+01 -0.270902D+00  0.104343D+00  0.177956D+01
      2   0.398259D+01  0.674441D+01 -0.607508D+01 -0.299988D+01 -0.355406D+01
      3   0.637046D+01  0.860776D+01 -0.453194D+01 -0.146074D+01 -0.376653D+01
               216 
      1   0.226637D+00
      2   0.528736D+01
      3   0.337697D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.378258D+01 -0.618411D+01 -0.112459D+00 -0.355322D+01  0.313393D+01
      2  -0.985335D+00  0.878358D+01  0.415509D-01  0.585366D+01 -0.100868D+02
      3  -0.279724D+01 -0.259947D+01  0.709081D-01 -0.230043D+01  0.695286D+01
      4  -0.387658D+01 -0.501967D+01  0.155523D+00 -0.961812D+01  0.654525D+01
      5   0.115223D+01 -0.123064D+01 -0.314102D+01 -0.282109D+01  0.188540D+01
      6   0.136485D+01  0.149650D+01  0.502723D+01  0.250923D+01 -0.668994D+01
                 6             7             8             9            10 
      1   0.335705D+01  0.150454D+01  0.391442D+01  0.485647D+01 -0.226720D+02
      2  -0.231622D+01  0.238586D+01 -0.982928D+01  0.329265D+01  0.116223D+02
      3  -0.104084D+01 -0.389040D+01  0.591486D+01 -0.814912D+01  0.110497D+02
      4   0.267969D+01 -0.199735D+01  0.577269D+01  0.483068D+01  0.315202D+01
      5   0.280574D+01 -0.345251D+01  0.303405D+01 -0.149253D+02 -0.153717D+01
      6  -0.640244D+01  0.425422D+01 -0.493175D+01  0.185809D+02 -0.434787D+00
                11            12            13            14            15 
      1  -0.136262D+01  0.917439D+00  0.299254D+01  0.101747D+02  0.105077D+00
      2   0.278680D+01  0.204419D+01 -0.163121D+01 -0.547469D+01 -0.121093D+01
      3  -0.142419D+01 -0.296162D+01 -0.136133D+01 -0.470000D+01  0.110586D+01
      4   0.970160D+00  0.104107D+00  0.809690D+01  0.530140D+00 -0.265942D+01
      5  -0.356072D-01  0.103919D+01  0.110184D+01 -0.223075D+01 -0.476345D+01
      6   0.421044D+00  0.202501D+01 -0.849514D+00 -0.280177D+00 -0.457518D-02
                16            17            18            19            20 
      1  -0.456862D+01  0.146784D+01  0.127013D+02 -0.102024D+01  0.523081D+01
      2   0.276785D+01 -0.390601D+01  0.191384D+01 -0.476282D+00 -0.967504D+01
      3   0.180078D+01  0.243818D+01 -0.146151D+02  0.149652D+01  0.444423D+01
      4   0.193277D+01 -0.324735D+01 -0.273694D+01  0.560462D+00 -0.727704D+01
      5   0.554659D+01 -0.291936D+01  0.206786D+02  0.136916D+01  0.231617D+01
      6   0.570411D+00 -0.304697D+00  0.464041D+01 -0.173185D+00  0.340507D+01
                21            22            23            24            25 
      1  -0.113643D+01  0.193888D+01 -0.246768D+01 -0.314856D+01  0.140296D+01
      2   0.385294D+00 -0.647762D+01 -0.364179D+00  0.296702D+01  0.295350D+01
      3   0.751133D+00  0.453873D+01  0.283186D+01  0.181537D+00 -0.435646D+01
      4   0.110946D+01 -0.105294D+02 -0.439859D+01  0.175984D+01  0.322355D+01
      5  -0.359891D+01  0.136636D+01  0.324130D+01  0.739384D-01 -0.301061D+01
      6  -0.486995D+01  0.279437D+01  0.404178D+01 -0.176099D+01 -0.342856D+01
                26            27            28            29            30 
      1  -0.204246D+01 -0.186145D+01 -0.163286D+02  0.684106D+01 -0.189970D+01
      2   0.572551D+01  0.611780D+01  0.799461D+01 -0.706961D+01  0.205158D+01
      3  -0.368306D+01 -0.425635D+01  0.833399D+01  0.228545D+00 -0.151879D+00
      4   0.571074D+01 -0.424305D+00  0.167420D+01 -0.180577D+01  0.129169D+00
      5   0.954986D+00 -0.101107D+02 -0.245798D+01 -0.705571D+00 -0.139934D+01
      6   0.668847D+00 -0.139793D+02  0.159038D+00 -0.206395D+01 -0.601149D+00
                31            32            33            34            35 
      1   0.375113D+01  0.103391D+02 -0.279793D+01 -0.589747D+01  0.219989D+00
      2  -0.249689D+01 -0.108166D+02 -0.347519D+01  0.334441D+01 -0.892495D+00
      3  -0.125424D+01  0.477557D+00  0.627312D+01  0.255306D+01  0.672507D+00
      4  -0.202109D+01 -0.770301D+01 -0.485162D+01  0.435025D+01 -0.258870D+01
      5   0.161897D+01 -0.720407D+01 -0.723251D+01  0.249975D+00 -0.217368D+01
      6  -0.384247D+01  0.330687D+01 -0.265204D+00 -0.779124D+00  0.874653D+00
                36            37            38            39            40 
      1   0.154334D+02  0.115114D+02 -0.202679D+01  0.134433D+01 -0.635019D+00
      2   0.113145D+02 -0.715194D+01  0.110102D+01 -0.134289D+01  0.115153D+01
      3  -0.267479D+02 -0.435950D+01  0.925774D+00 -0.143990D-02 -0.516510D+00
      4  -0.273214D+01 -0.997685D+01  0.120221D+02 -0.341236D+00  0.116629D+02
      5   0.171399D+02  0.158971D+01  0.252456D+00  0.142123D+02 -0.918644D+00
      6   0.240053D+00  0.750264D+00  0.607960D+00  0.414031D+01  0.106590D+01
                41            42            43            44            45 
      1  -0.122702D+02  0.286913D+01  0.324365D+01  0.190169D+01 -0.511956D+01
      2   0.182050D+02  0.874870D+00 -0.372284D+01 -0.317363D+01 -0.221358D+01
      3  -0.593475D+01 -0.374400D+01  0.479195D+00  0.127193D+01  0.733314D+01
      4  -0.112686D+01  0.565488D+00 -0.520452D+01 -0.637803D+00 -0.197538D+01
      5   0.179373D+01  0.248920D+01  0.395898D+01 -0.159883D+01  0.138854D+01
      6  -0.301956D+00  0.560041D+01 -0.158064D+01  0.504691D+01  0.179718D+00
                46            47            48            49            50 
      1  -0.113723D+02  0.610733D+01  0.269584D+01 -0.184259D+01 -0.372458D+01
      2   0.984928D+01 -0.721464D+01  0.549898D+00 -0.472803D+01 -0.274406D+01
      3   0.152299D+01  0.110731D+01 -0.324574D+01  0.657062D+01  0.646864D+01
      4   0.674652D+01 -0.121164D+02 -0.130125D+01 -0.144228D+02 -0.711851D+01
      5   0.183452D+01 -0.111309D+00 -0.131307D+02  0.128108D+01  0.187671D+01
      6  -0.111119D-01  0.560191D+00 -0.765548D+01  0.236867D+00  0.445219D+01
                51            52            53            54            55 
      1  -0.394307D+01  0.328697D+01 -0.368656D+01  0.409550D+01 -0.134938D+02
      2  -0.355735D+00  0.303005D+01  0.701155D+01  0.141914D+02  0.600358D+01
      3   0.429880D+01 -0.631702D+01 -0.332499D+01 -0.182869D+02  0.749026D+01
      4   0.249291D+01  0.278640D+01  0.530316D+01 -0.150275D+00  0.202871D+02
      5   0.212545D+01 -0.579923D+01  0.104226D+01 -0.184855D+02  0.109540D+01
      6  -0.122283D+01 -0.362231D+01  0.135638D+01 -0.178861D+02  0.253217D+01
                56            57            58            59            60 
      1   0.226264D+01 -0.763962D+00  0.268989D+01 -0.232993D+02 -0.725589D+01
      2  -0.823911D+00  0.171216D+01 -0.596438D+01  0.394307D+02  0.600614D+01
      3  -0.143873D+01 -0.948199D+00  0.327449D+01 -0.161315D+02  0.124975D+01
      4   0.210421D+01  0.106187D+01  0.110928D+02 -0.199422D+02 -0.514718D+01
      5  -0.254956D+00  0.376303D+01  0.204112D+01 -0.379022D+01 -0.207466D+01
      6   0.108540D-01  0.306882D+00 -0.261279D+01  0.126091D+02  0.117866D+02
                61            62            63            64            65 
      1  -0.139310D+01 -0.874698D+01 -0.884702D+01  0.975899D+00  0.835286D+00
      2  -0.894217D+00  0.118690D+02  0.372250D+01 -0.299038D+01 -0.145654D+01
      3   0.228732D+01 -0.312206D+01  0.512452D+01  0.201448D+01  0.621258D+00
      4   0.671246D+01 -0.874507D+01 -0.578047D+01 -0.139299D+01  0.366067D+01
      5   0.596443D+01 -0.535032D+01 -0.354033D+01  0.440466D+01 -0.140856D+01
      6  -0.365745D+01  0.158238D+02  0.791828D+01 -0.385139D+01  0.650183D+00
                66            67            68            69            70 
      1   0.184294D+01  0.106764D+01 -0.345093D+01  0.291701D+01  0.137976D+01
      2  -0.236484D+01 -0.163690D+01  0.247092D+01 -0.289637D+01 -0.258446D+01
      3   0.521893D+00  0.569264D+00  0.980017D+00 -0.206387D-01  0.120470D+01
      4  -0.338739D+01  0.340094D+01 -0.271851D+01  0.268679D+01 -0.452324D+01
      5   0.769328D+01 -0.514809D+00  0.274555D+01 -0.133677D+01  0.630895D+01
      6  -0.220444D+01  0.116790D+01 -0.457433D+01  0.705394D+01 -0.341654D+01
                71            72            73            74            75 
      1   0.410422D+01 -0.113734D+02  0.464082D+02 -0.130833D+02  0.293577D+01
      2  -0.345421D+01 -0.105879D+02 -0.274518D+02  0.633472D+01 -0.240896D+01
      3  -0.650017D+00  0.219612D+02 -0.189564D+02  0.674854D+01 -0.526811D+00
      4   0.402204D+01 -0.370383D+01 -0.161211D+02  0.245441D+01  0.271098D+01
      5  -0.251548D+01  0.172133D+02  0.536011D+01  0.355725D+01  0.826047D+01
      6   0.683895D+01 -0.220080D+02  0.552022D+00  0.366032D+00 -0.161555D+01
                76            77            78            79            80 
      1  -0.280048D+02 -0.733752D+01  0.327181D+01  0.153083D+02  0.330428D+01
      2   0.150866D+02  0.698001D+01 -0.155459D+01 -0.809309D+01 -0.154722D+01
      3   0.129182D+02  0.357510D+00 -0.171722D+01 -0.721523D+01 -0.175705D+01
      4  -0.179771D+01 -0.195843D+02  0.573207D+01  0.325021D+01  0.754699D+01
      5   0.428365D+01  0.693344D+01 -0.458509D+01  0.105457D+02 -0.335419D+01
      6   0.160732D+01  0.163685D+01  0.362350D+01 -0.101855D+01  0.280876D+01
                81            82            83            84            85 
      1   0.268796D+01 -0.161515D-02  0.419578D+00 -0.550712D+01  0.759380D+00
      2  -0.568201D+01 -0.309821D+01 -0.975948D-01  0.119542D+01 -0.365874D+00
      3   0.299406D+01  0.309983D+01 -0.321983D+00  0.431170D+01 -0.393506D+00
      4  -0.313863D+01 -0.131538D+00  0.342370D-01 -0.277629D+00  0.179902D-01
      5   0.255106D+01 -0.270099D+01 -0.310779D+00  0.300577D+01 -0.260997D+00
      6   0.456292D+00 -0.834725D+00  0.330833D+00 -0.491722D+00 -0.240249D-01
                86            87            88            89            90 
      1  -0.505572D+01  0.165490D+01 -0.693692D+01  0.140333D+01 -0.164164D+02
      2   0.995081D+00  0.742075D-01  0.335353D+01  0.629269D+00 -0.131915D+02
      3   0.406064D+01 -0.172911D+01  0.358339D+01 -0.203260D+01  0.296079D+02
      4   0.138773D+01 -0.245934D+01 -0.935298D+00 -0.364593D+01  0.164153D+01
      5  -0.264426D+01  0.211979D+01  0.399437D+01  0.211663D+01 -0.210682D+02
      6  -0.153738D+01  0.679450D+01 -0.135873D+00  0.411535D+01 -0.469500D+01
                91            92            93            94            95 
      1   0.153198D+01 -0.159052D+01  0.180373D+01 -0.138084D+01 -0.713868D+00
      2  -0.305160D+01  0.246921D+01 -0.153305D+01  0.205914D+01 -0.114454D+01
      3   0.151962D+01 -0.878687D+00 -0.270679D+00 -0.678299D+00  0.185840D+01
      4   0.615647D+00  0.276756D+01  0.153156D+01  0.310462D+01  0.779236D+00
      5   0.361287D+01 -0.171480D+00  0.550275D+01  0.248694D-01  0.213021D+01
      6   0.230940D+01  0.276477D-01  0.153525D+01  0.452276D+00  0.192106D+01
                96            97            98            99           100 
      1  -0.148203D+01  0.152924D+01 -0.270360D+01 -0.820159D+01  0.107474D+02
      2   0.230136D+01 -0.323337D+01  0.426541D+01 -0.118184D+02 -0.171144D+01
      3  -0.819328D+00  0.170413D+01 -0.156181D+01  0.200200D+02 -0.903593D+01
      4   0.239660D+01  0.257419D+01  0.296279D+01  0.938493D+00  0.180477D+02
      5   0.695039D-02  0.568808D+01 -0.193544D+00  0.129389D+02 -0.447346D+01
      6   0.393597D+01  0.231337D+01  0.313147D+01  0.142944D+02 -0.582734D+01
               101           102           103           104           105 
      1  -0.843324D+01 -0.875103D+00 -0.382438D+01  0.711614D+01  0.614658D+01
      2   0.196532D+02  0.247995D+01  0.118945D+02 -0.615784D+01 -0.828353D+01
      3  -0.112200D+02 -0.160485D+01 -0.807016D+01 -0.958294D+00  0.213695D+01
      4   0.210495D+02 -0.397885D+01  0.177301D+02  0.121556D+02 -0.420115D+01
      5  -0.119740D+01  0.811970D+01 -0.117253D+01 -0.679780D+01  0.107863D+01
      6  -0.282958D+01  0.561159D+01 -0.247292D+01 -0.105768D+02  0.665372D+01
               106           107           108           109           110 
      1  -0.163705D+01  0.108045D+02 -0.179440D+01  0.113172D+02 -0.145005D+02
      2   0.409266D+00 -0.169430D+02 -0.227392D+01 -0.783481D+01  0.107095D+02
      3   0.122778D+01  0.613849D+01  0.406833D+01 -0.348243D+01  0.379098D+01
      4  -0.729793D+01 -0.967882D+01  0.621747D+01 -0.128715D+02 -0.143759D+02
      5   0.857212D+01  0.337513D+01 -0.350798D+01  0.795242D+01 -0.109382D+00
      6   0.751418D+01  0.961152D+01 -0.754472D+01 -0.178624D+01  0.541894D+01
               111           112           113           114           115 
      1   0.777132D+01 -0.152020D+02 -0.183289D+02  0.230892D+01  0.114819D+02
      2  -0.208213D+01  0.110033D+02  0.627011D+01 -0.531839D+01 -0.420867D+01
      3  -0.568919D+01  0.419865D+01  0.120588D+02  0.300946D+01 -0.727319D+01
      4  -0.212928D+01 -0.236433D+02  0.758046D+01  0.211511D+02 -0.399883D+01
      5  -0.852160D+01 -0.125701D+01  0.243458D+02  0.131027D+02 -0.247625D+02
      6   0.303134D+01  0.885135D+01 -0.852802D+01 -0.933854D+01  0.793478D+01
               116           117           118           119           120 
      1   0.225489D+01 -0.100282D+02  0.118510D+01 -0.241827D+00 -0.445218D+01
      2  -0.305484D+01  0.380865D+01 -0.452230D+01  0.219359D+00  0.130494D+01
      3   0.799948D+00  0.621950D+01  0.333720D+01  0.224686D-01  0.314724D+01
      4   0.193723D+02  0.165241D+02 -0.265838D+00  0.125135D+01  0.101621D+01
      5   0.162099D+02 -0.298793D+01 -0.357498D+01  0.128836D+00  0.559393D+01
      6  -0.151998D+02 -0.375961D+01  0.466369D+00  0.611725D+00 -0.158711D+00
               121           122           123           124           125 
      1   0.187094D+00 -0.517885D+01  0.684814D+00 -0.389052D+01  0.849889D+00
      2  -0.371142D+00  0.716783D+00  0.158497D+01  0.442404D+01  0.862563D+00
      3   0.184048D+00  0.446207D+01 -0.226978D+01 -0.533525D+00 -0.171245D+01
      4   0.123341D+01  0.167001D+01 -0.209962D+01  0.995137D+00 -0.234726D+01
      5  -0.503165D+00 -0.264376D+01  0.192165D+01  0.666694D+01  0.110127D+01
      6   0.169534D+00 -0.302645D+00  0.696050D+01  0.489492D+00  0.498644D+01
               126           127           128           129           130 
      1  -0.211544D+02  0.104908D+02 -0.638879D+01 -0.278178D+01 -0.601267D+00
      2  -0.181587D+02  0.473046D+00  0.175217D+02  0.380502D+01  0.932336D+01
      3   0.393132D+02 -0.109638D+02 -0.111329D+02 -0.102324D+01 -0.872210D+01
      4   0.157358D+01  0.162112D+02  0.213984D+02 -0.299371D+01  0.186534D+02
      5  -0.200741D+02 -0.228876D+01  0.666197D+00  0.715213D+01 -0.382983D+00
      6   0.242328D+01 -0.360179D+01  0.173401D+01  0.536683D+01  0.262894D+00
               131           132           133           134           135 
      1   0.967856D+01  0.969182D+01 -0.397440D+01  0.158900D+02  0.769621D+00
      2  -0.711403D+01 -0.127375D+02  0.352200D+00 -0.275896D+02 -0.551312D+01
      3  -0.256453D+01  0.304572D+01  0.362220D+01  0.116996D+02  0.474350D+01
      4   0.118976D+02 -0.511220D+01 -0.837210D+01 -0.143754D+02  0.439075D+01
      5  -0.648166D+01  0.409130D+00  0.747551D+01  0.852203D+00 -0.419613D+01
      6  -0.174552D+02  0.385232D+01  0.613287D+01  0.395034D+01 -0.944216D+01
               136           137           138           139           140 
      1   0.175788D+01 -0.423580D+00  0.210333D+01 -0.117246D+01 -0.202841D+01
      2  -0.495069D+01  0.581667D+00 -0.265767D+01  0.199830D+01 -0.918342D+00
      3   0.319280D+01 -0.158087D+00  0.554335D+00 -0.825840D+00  0.294675D+01
      4   0.115768D+01  0.327692D+01  0.330188D+01  0.306694D+01  0.602146D+00
      5   0.543346D+01  0.885554D+00  0.902763D+01 -0.433315D+00  0.303591D+01
      6   0.347805D+01  0.891594D+00  0.242037D+01  0.892443D+00  0.257228D+01
               141           142           143           144           145 
      1  -0.139457D+01  0.559389D+00 -0.274275D+01 -0.139276D+02  0.221381D+02
      2   0.382726D+01 -0.389052D+01  0.348587D+01 -0.176694D+02 -0.434113D+01
      3  -0.243269D+01  0.333113D+01 -0.743120D+00  0.315970D+02 -0.177969D+02
      4   0.243069D+01  0.506750D+01  0.498338D+01  0.205400D+01 -0.343011D+02
      5  -0.186322D+01  0.922527D+01  0.167139D+01  0.209159D+02 -0.579063D+01
      6   0.466293D+01  0.387494D+01  0.569655D+01  0.199742D+02  0.184275D+01
               146           147           148           149           150 
      1  -0.290383D+01 -0.378546D+00 -0.161032D+01  0.114628D+01  0.311909D+00
      2  -0.663254D+01 -0.347795D-01 -0.301941D+01  0.384284D+01 -0.292218D+00
      3   0.953637D+01  0.413325D+00  0.462974D+01 -0.498913D+01 -0.196908D-01
      4   0.182361D+02  0.323638D+01  0.984271D+01 -0.676451D+01 -0.641309D+00
      5   0.267990D+01  0.423092D+01  0.106960D+01 -0.439348D+00 -0.148845D+01
      6  -0.260214D+01 -0.472179D+01 -0.109142D+01  0.332278D+00  0.148986D+01
               151           152           153           154           155 
      1   0.109269D+01  0.250989D+00  0.790561D+00  0.281352D+02  0.130142D+02
      2   0.107165D-01 -0.851483D+00 -0.958194D+00 -0.142521D+02 -0.639200D+01
      3  -0.110341D+01  0.600494D+00  0.167632D+00 -0.138831D+02 -0.662224D+01
      4  -0.104192D+01  0.623793D+00 -0.327676D+01  0.139563D+02  0.130566D+02
      5   0.431794D+01 -0.198972D+01 -0.108532D+01 -0.539477D+01 -0.309481D+01
      6  -0.306116D+01  0.274317D+01  0.156296D+01 -0.113737D+01 -0.715671D+00
               156           157           158           159           160 
      1  -0.448245D+01  0.239735D+02  0.127264D+02 -0.354180D+01 -0.827081D+01
      2   0.214430D+01 -0.119712D+02 -0.443746D+01  0.185124D+01  0.495333D+01
      3   0.233815D+01 -0.120022D+02 -0.828895D+01  0.169056D+01  0.331748D+01
      4  -0.268219D+01  0.173683D+02  0.185902D+02 -0.458446D+01 -0.474509D+01
      5   0.610159D+01 -0.496061D+01 -0.517463D+01  0.537674D+01  0.802820D+01
      6   0.792837D+00 -0.158031D+01 -0.144575D+01  0.129917D+01  0.173392D+01
               161           162           163           164           165 
      1  -0.413804D+01  0.464519D+01 -0.204621D+01  0.781853D+01  0.570928D+00
      2   0.238195D+01 -0.361265D+01  0.358326D+01 -0.116515D+02 -0.157837D+01
      3   0.175608D+01 -0.103254D+01 -0.153704D+01  0.383293D+01  0.100744D+01
      4  -0.572360D+01  0.377972D+01 -0.153236D+01  0.635826D+00  0.105085D+01
      5   0.426650D+01 -0.320083D+01  0.594823D+00 -0.100613D+01 -0.876754D+00
      6   0.224894D+01 -0.130613D+01  0.139455D+01  0.408481D-01 -0.133230D+01
               166           167           168           169           170 
      1   0.376503D+01 -0.248471D+02 -0.221573D+01  0.105601D+01 -0.651983D+01
      2  -0.313867D+01  0.434330D+02  0.532447D+01 -0.974645D+00  0.110532D+02
      3  -0.626356D+00 -0.185858D+02 -0.310874D+01 -0.813669D-01 -0.453334D+01
      4   0.514341D+01  0.115261D+02  0.100076D+01  0.188858D+01  0.362542D+01
      5  -0.109654D+01  0.301652D+01  0.254623D+01  0.532374D+00  0.221808D+01
      6  -0.610662D+00  0.117401D+01  0.572163D+01 -0.635246D+00  0.622768D+01
               171           172           173           174           175 
      1  -0.433683D+01  0.288683D+02  0.871017D+01  0.386967D+01  0.117172D+02
      2   0.470647D+01 -0.176416D+02 -0.728412D+01 -0.551293D+01 -0.938050D+01
      3  -0.369645D+00 -0.112267D+02 -0.142604D+01  0.164326D+01 -0.233667D+01
      4   0.104813D+01 -0.329392D+01  0.135408D+02 -0.628117D+01  0.130674D+02
      5   0.640143D+00  0.153752D+02 -0.389313D+01  0.187882D+02 -0.187658D+01
      6   0.173859D+01 -0.266040D+00  0.733375D+01 -0.631758D+01  0.568408D+01
               176           177           178           179           180 
      1   0.126561D+02 -0.438716D+01  0.517638D+01 -0.622120D+01  0.701371D+01
      2  -0.527925D+01  0.161471D+01 -0.640172D+01  0.241401D+01 -0.170345D+02
      3  -0.737685D+01  0.277245D+01  0.122534D+01  0.380718D+01  0.100208D+02
      4   0.188728D+01  0.342799D+01 -0.600804D+01  0.239413D+00 -0.836768D+01
      5   0.448150D+01  0.344173D+01  0.275863D+02 -0.760699D+01  0.280392D+02
      6   0.293617D+01  0.193288D+01 -0.822809D+01  0.950730D+01 -0.418021D+01
               181           182           183           184           185 
      1   0.321580D+02  0.159782D+02 -0.689921D+01  0.243952D+02  0.132858D+02
      2  -0.173455D+02 -0.858591D+01  0.409381D+01 -0.135900D+02 -0.496150D+01
      3  -0.148125D+02 -0.739232D+01  0.280540D+01 -0.108052D+02 -0.832432D+01
      4   0.149012D+02  0.131153D+02 -0.258525D+01  0.160458D+02  0.207805D+02
      5  -0.106629D+02 -0.450823D+01  0.932744D+01 -0.695801D+01 -0.985685D+01
      6  -0.146076D+01 -0.248851D+01  0.196843D+00 -0.302058D+01 -0.261571D+01
               186           187           188           189           190 
      1  -0.393443D+01 -0.755730D+01 -0.198256D+01  0.647531D+01  0.125083D+02
      2   0.340596D+01  0.536956D+01  0.233985D+01 -0.548244D+01 -0.432665D+01
      3   0.528472D+00  0.218775D+01 -0.357291D+00 -0.992876D+00 -0.818167D+01
      4  -0.798195D+01 -0.226152D+01 -0.636195D+01  0.467756D+01 -0.132629D+02
      5   0.809243D+01  0.120957D+02  0.618398D+01 -0.631177D+01 -0.124299D+02
      6   0.256113D+01  0.807127D+00  0.358263D+01 -0.178020D+01  0.569093D+01
               191           192           193           194           195 
      1  -0.773305D+01 -0.825856D+01 -0.107534D+02  0.397698D+01  0.105672D+00
      2   0.174550D+01  0.406682D+01  0.129419D+01  0.867462D+01  0.286209D+01
      3   0.598755D+01  0.419174D+01  0.945917D+01 -0.126516D+02 -0.296776D+01
      4   0.140450D+02  0.695595D+01  0.236219D+02 -0.327347D+02 -0.173064D+02
      5   0.657657D+01  0.967588D+01  0.114951D+02 -0.185527D+02 -0.189908D+02
      6  -0.408276D+01 -0.374304D+01 -0.787726D+01  0.152419D+02  0.133783D+02
               196           197           198           199           200 
      1  -0.899080D+01  0.136679D+00  0.166018D+01 -0.146958D+01  0.903710D+01
      2   0.520991D+01  0.128633D+01 -0.257955D+01  0.342128D+01 -0.123963D+02
      3   0.378089D+01 -0.142301D+01  0.919363D+00 -0.195170D+01  0.335916D+01
      4   0.104194D+02 -0.151387D+02 -0.159037D+02  0.109272D+01  0.290669D+01
      5   0.158422D+02 -0.166265D+02 -0.222997D+02  0.741153D+00 -0.307167D+00
      6  -0.696970D+01  0.125083D+02  0.133633D+02  0.199946D+01 -0.341424D+01
               201           202           203           204           205 
      1   0.233125D+01  0.314450D+01 -0.292173D+02 -0.665024D+01  0.163475D+01
      2  -0.298352D+01 -0.126476D+01  0.509466D+02  0.107850D+02 -0.922446D+00
      3   0.652273D+00 -0.187974D+01 -0.217292D+02 -0.413475D+01 -0.712306D+00
      4   0.117187D+01  0.599787D+01  0.175939D+02  0.312183D+01  0.278425D+01
      5  -0.127166D-01  0.845065D-01  0.560711D+01  0.388075D+01  0.971204D+00
      6  -0.230707D+01 -0.312075D+00  0.137208D+02  0.903635D+01 -0.334407D+00
               206           207           208           209           210 
      1  -0.135112D+02 -0.762184D+01 -0.118350D+02 -0.101074D+02  0.708788D+01
      2   0.208965D+02  0.937170D+01  0.754593D+01  0.673563D+01 -0.223927D+01
      3  -0.738528D+01 -0.174985D+01  0.428910D+01  0.337182D+01 -0.484861D+01
      4   0.774657D+01  0.303704D+01 -0.419428D+00 -0.504142D+01  0.253748D+01
      5   0.514195D+01  0.255696D+01 -0.909050D+00  0.139752D+01 -0.568389D+01
      6   0.135077D+02  0.706032D+01 -0.315511D+01 -0.571034D+01  0.556429D+01
               211           212           213           214           215 
      1  -0.124395D+02 -0.135733D+02  0.724985D+01  0.559700D+01  0.571555D+01
      2   0.764747D+01  0.120531D+02 -0.488485D+01 -0.250171D+01 -0.305606D+01
      3   0.479201D+01  0.152016D+01 -0.236500D+01 -0.309529D+01 -0.265949D+01
      4   0.342728D+00 -0.104785D+02  0.589409D+01  0.401194D+00  0.458131D+01
      5  -0.121078D+01  0.472289D+01 -0.713612D+01  0.911772D+00 -0.288310D+01
      6  -0.310493D+01 -0.952218D+01  0.778024D+01  0.219893D+01  0.609012D+01
               216 
      1  -0.719942D+01
      2   0.158342D+01
      3   0.561600D+01
      4  -0.252296D+01
      5   0.602655D+01
      6  -0.573593D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Sep 27 12:09:17 2021, MaxMem=  6442450944 cpu:           24905.2 elap:            3120.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.50098 -19.49586 -19.48988 -19.48114 -19.47309
 Alpha  occ. eigenvalues --  -19.46269 -10.56508 -10.50883 -10.50817 -10.50527
 Alpha  occ. eigenvalues --  -10.49980 -10.48809  -1.23314  -1.18516  -1.17524
 Alpha  occ. eigenvalues --   -1.15830  -1.14677  -1.14114  -0.93134  -0.91825
 Alpha  occ. eigenvalues --   -0.83150  -0.78813  -0.76081  -0.73156  -0.70797
 Alpha  occ. eigenvalues --   -0.67249  -0.66210  -0.65096  -0.62257  -0.62073
 Alpha  occ. eigenvalues --   -0.60210  -0.59317  -0.56870  -0.55351  -0.53894
 Alpha  occ. eigenvalues --   -0.53526  -0.51443  -0.50871  -0.49172  -0.47523
 Alpha  occ. eigenvalues --   -0.46284  -0.45329  -0.44486  -0.43121  -0.41362
 Alpha  occ. eigenvalues --   -0.40088  -0.39690  -0.38862
 Alpha virt. eigenvalues --    0.02430   0.04146   0.05023   0.05731   0.06898
 Alpha virt. eigenvalues --    0.07331   0.08766   0.09262   0.09494   0.10480
 Alpha virt. eigenvalues --    0.11858   0.13017   0.13286   0.13659   0.14268
 Alpha virt. eigenvalues --    0.14545   0.15424   0.15946   0.16543   0.17680
 Alpha virt. eigenvalues --    0.18379   0.18466   0.19159   0.20128   0.20672
 Alpha virt. eigenvalues --    0.21131   0.21659   0.22479   0.22862   0.24283
 Alpha virt. eigenvalues --    0.24639   0.25606   0.25902   0.26707   0.27726
 Alpha virt. eigenvalues --    0.28054   0.29329   0.29674   0.30008   0.30482
 Alpha virt. eigenvalues --    0.31158   0.31629   0.32102   0.32240   0.32776
 Alpha virt. eigenvalues --    0.33204   0.33659   0.33924   0.34231   0.34594
 Alpha virt. eigenvalues --    0.35461   0.36635   0.37029   0.37193   0.37499
 Alpha virt. eigenvalues --    0.38199   0.38718   0.38910   0.40398   0.40646
 Alpha virt. eigenvalues --    0.40839   0.40893   0.41155   0.41685   0.41974
 Alpha virt. eigenvalues --    0.42736   0.43379   0.43543   0.43844   0.44499
 Alpha virt. eigenvalues --    0.45688   0.45903   0.46479   0.47543   0.47909
 Alpha virt. eigenvalues --    0.48688   0.48741   0.49355   0.50323   0.51323
 Alpha virt. eigenvalues --    0.51968   0.52208   0.52502   0.53039   0.53847
 Alpha virt. eigenvalues --    0.54772   0.55288   0.55615   0.56108   0.57058
 Alpha virt. eigenvalues --    0.57571   0.57929   0.58352   0.58835   0.59474
 Alpha virt. eigenvalues --    0.59993   0.60397   0.60706   0.61551   0.61880
 Alpha virt. eigenvalues --    0.62357   0.63208   0.63544   0.64343   0.64933
 Alpha virt. eigenvalues --    0.65612   0.65961   0.67100   0.67267   0.68030
 Alpha virt. eigenvalues --    0.68699   0.69149   0.69947   0.70417   0.71029
 Alpha virt. eigenvalues --    0.71487   0.71753   0.72611   0.74052   0.75027
 Alpha virt. eigenvalues --    0.75631   0.76123   0.77158   0.78374   0.79083
 Alpha virt. eigenvalues --    0.79360   0.79923   0.81089   0.81733   0.82202
 Alpha virt. eigenvalues --    0.82988   0.83924   0.84251   0.85388   0.86041
 Alpha virt. eigenvalues --    0.86488   0.87309   0.87809   0.88788   0.90102
 Alpha virt. eigenvalues --    0.91455   0.91527   0.92091   0.92596   0.95209
 Alpha virt. eigenvalues --    0.96232   0.97127   0.98793   1.01284   1.03110
 Alpha virt. eigenvalues --    1.05080   1.06965   1.07325   1.09176   1.09692
 Alpha virt. eigenvalues --    1.10893   1.12974   1.14323   1.14957   1.16287
 Alpha virt. eigenvalues --    1.16593   1.18258   1.20346   1.21150   1.22610
 Alpha virt. eigenvalues --    1.23474   1.24231   1.26154   1.26682   1.28480
 Alpha virt. eigenvalues --    1.33052   1.34098   1.36051   1.36450   1.39315
 Alpha virt. eigenvalues --    1.40814   1.42075   1.44037   1.44928   1.46831
 Alpha virt. eigenvalues --    1.48054   1.51193   1.54710   1.55474   1.57867
 Alpha virt. eigenvalues --    1.58803   1.60582   1.61823   1.63199   1.64058
 Alpha virt. eigenvalues --    1.65288   1.65999   1.66885   1.69025   1.70493
 Alpha virt. eigenvalues --    1.71340   1.72597   1.75590   1.78581   1.80757
 Alpha virt. eigenvalues --    1.82297   1.83215   1.84906   1.86207   1.89646
 Alpha virt. eigenvalues --    1.92499   1.92723   1.93977   1.94099   1.96771
 Alpha virt. eigenvalues --    1.98488   2.00255   2.00912   2.02116   2.03617
 Alpha virt. eigenvalues --    2.04920   2.05962   2.06481   2.07922   2.08845
 Alpha virt. eigenvalues --    2.09870   2.10236   2.12420   2.13124   2.13513
 Alpha virt. eigenvalues --    2.14290   2.16356   2.18233   2.19140   2.19791
 Alpha virt. eigenvalues --    2.20884   2.21992   2.24759   2.25386   2.27351
 Alpha virt. eigenvalues --    2.27687   2.28682   2.29706   2.30628   2.31185
 Alpha virt. eigenvalues --    2.33814   2.34142   2.35424   2.37454   2.38098
 Alpha virt. eigenvalues --    2.38644   2.40247   2.41203   2.42116   2.42442
 Alpha virt. eigenvalues --    2.44159   2.45156   2.46586   2.49051   2.50057
 Alpha virt. eigenvalues --    2.51814   2.54303   2.56216   2.58641   2.62984
 Alpha virt. eigenvalues --    2.63493   2.66153   2.66932   2.72030   2.74452
 Alpha virt. eigenvalues --    2.77040   2.78891   2.88520   2.96639   2.99594
 Alpha virt. eigenvalues --    3.02056   3.07284   3.08866   3.11211   3.11655
 Alpha virt. eigenvalues --    3.12364   3.13814   3.15838   3.16330   3.17511
 Alpha virt. eigenvalues --    3.17742   3.18415   3.19497   3.22387   3.23576
 Alpha virt. eigenvalues --    3.26366   3.27153   3.28578   3.29554   3.30379
 Alpha virt. eigenvalues --    3.32849   3.34729   3.38169   3.39422   3.55066
 Alpha virt. eigenvalues --    3.59530   3.61043   3.64770   3.66126   3.73648
 Alpha virt. eigenvalues --    3.84321   3.98265   4.01204   4.02754   4.03055
 Alpha virt. eigenvalues --    4.05457
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.815435  -0.255760  -0.400496  -0.296695   0.082409  -0.180752
     2  C   -0.255760   6.498287  -0.161734  -0.055918  -0.064034  -0.472289
     3  C   -0.400496  -0.161734   6.759230   0.053732  -0.152022  -0.095074
     4  C   -0.296695  -0.055918   0.053732   6.293414  -0.335848   0.194005
     5  O    0.082409  -0.064034  -0.152022  -0.335848   9.603490  -0.525231
     6  C   -0.180752  -0.472289  -0.095074   0.194005  -0.525231   6.308312
     7  O    0.206330  -0.120070  -0.259568   0.057476   0.015634   0.022209
     8  H    0.482373  -0.031925  -0.067119  -0.146977   0.077018  -0.118223
     9  O   -0.184443   0.274948  -0.019662  -0.002324   0.053610  -0.120720
    10  H    0.020870   0.439234  -0.102394  -0.025027  -0.070497   0.067660
    11  H    0.002285  -0.030508   0.371200  -0.050187  -0.132197  -0.012353
    12  O   -0.119291   0.019472   0.021472  -0.117461   0.069420  -0.009002
    13  C    0.047205  -0.015837  -0.244407   0.247760  -0.056741   0.012925
    14  H   -0.115548   0.028222   0.196851   0.400704  -0.185645  -0.034682
    15  O    0.049630  -0.137198   0.001887  -0.090287   0.046727   0.059896
    16  H   -0.116926   0.118541  -0.002637   0.050675  -0.131950   0.576706
    17  H    0.043349  -0.035339   0.076623   0.002680  -0.004379   0.010653
    18  H    0.049780   0.037051   0.006228   0.003703   0.006457  -0.034747
    19  H   -0.025419   0.006263   0.120089   0.026492   0.001545   0.000539
    20  O    0.000191   0.000500  -0.133362  -0.036215  -0.051482  -0.014774
    21  H    0.018319  -0.001597  -0.064949  -0.000022   0.038813  -0.003178
    22  H   -0.000502   0.000870   0.057056   0.074982  -0.041016   0.007696
    23  H   -0.000679   0.043753  -0.000386   0.005725   0.005708   0.033204
    24  H    0.001822  -0.000559  -0.021450   0.017459   0.035423  -0.002099
               7          8          9         10         11         12
     1  C    0.206330   0.482373  -0.184443   0.020870   0.002285  -0.119291
     2  C   -0.120070  -0.031925   0.274948   0.439234  -0.030508   0.019472
     3  C   -0.259568  -0.067119  -0.019662  -0.102394   0.371200   0.021472
     4  C    0.057476  -0.146977  -0.002324  -0.025027  -0.050187  -0.117461
     5  O    0.015634   0.077018   0.053610  -0.070497  -0.132197   0.069420
     6  C    0.022209  -0.118223  -0.120720   0.067660  -0.012353  -0.009002
     7  O    7.969761  -0.047956   0.068175  -0.061217  -0.145156   0.089974
     8  H   -0.047956   1.057411  -0.084966   0.012476   0.030543  -0.062051
     9  O    0.068175  -0.084966   7.885214  -0.003056  -0.010216   0.009568
    10  H   -0.061217   0.012476  -0.003056   0.988997  -0.050380   0.003015
    11  H   -0.145156   0.030543  -0.010216  -0.050380   1.371876  -0.066811
    12  O    0.089974  -0.062051   0.009568   0.003015  -0.066811   8.036562
    13  C    0.007871   0.009045   0.001676   0.007961  -0.080315   0.027908
    14  H    0.009292  -0.053877   0.000929  -0.003407   0.046904  -0.054741
    15  O    0.002711   0.011193   0.043598  -0.090220   0.003821   0.001494
    16  H    0.005909  -0.054894  -0.068536   0.014556  -0.004756   0.000106
    17  H    0.215013  -0.007327  -0.008073  -0.004526   0.005362  -0.002272
    18  H    0.000352   0.005504   0.225919  -0.019923   0.000132  -0.000574
    19  H   -0.008800  -0.001378   0.000892   0.000408  -0.022476   0.179450
    20  O    0.003758   0.002765   0.000689   0.002412  -0.006418   0.022456
    21  H    0.000638   0.002463   0.000169   0.000343  -0.006401  -0.002516
    22  H   -0.000498   0.000304  -0.000097   0.000034   0.006511  -0.000962
    23  H    0.000120   0.000095   0.002757   0.002870   0.000244   0.000273
    24  H    0.000009  -0.000207   0.000169   0.001200  -0.009745  -0.003204
              13         14         15         16         17         18
     1  C    0.047205  -0.115548   0.049630  -0.116926   0.043349   0.049780
     2  C   -0.015837   0.028222  -0.137198   0.118541  -0.035339   0.037051
     3  C   -0.244407   0.196851   0.001887  -0.002637   0.076623   0.006228
     4  C    0.247760   0.400704  -0.090287   0.050675   0.002680   0.003703
     5  O   -0.056741  -0.185645   0.046727  -0.131950  -0.004379   0.006457
     6  C    0.012925  -0.034682   0.059896   0.576706   0.010653  -0.034747
     7  O    0.007871   0.009292   0.002711   0.005909   0.215013   0.000352
     8  H    0.009045  -0.053877   0.011193  -0.054894  -0.007327   0.005504
     9  O    0.001676   0.000929   0.043598  -0.068536  -0.008073   0.225919
    10  H    0.007961  -0.003407  -0.090220   0.014556  -0.004526  -0.019923
    11  H   -0.080315   0.046904   0.003821  -0.004756   0.005362   0.000132
    12  O    0.027908  -0.054741   0.001494   0.000106  -0.002272  -0.000574
    13  C    4.528158  -0.200486  -0.001415  -0.000041  -0.000153  -0.000057
    14  H   -0.200486   1.167133  -0.008801   0.005342  -0.000022   0.000264
    15  O   -0.001415  -0.008801   8.125856  -0.132018   0.000244  -0.010245
    16  H   -0.000041   0.005342  -0.132018   1.021546   0.000812   0.002168
    17  H   -0.000153  -0.000022   0.000244   0.000812   0.518944   0.000594
    18  H   -0.000057   0.000264  -0.010245   0.002168   0.000594   0.524356
    19  H    0.000433  -0.000922  -0.000044   0.000104  -0.000157   0.000023
    20  O    0.356610  -0.010200   0.002573  -0.002062  -0.000271  -0.000005
    21  H    0.294237  -0.006273   0.000784  -0.000242  -0.000014  -0.000005
    22  H    0.249227  -0.010495  -0.002706  -0.001321  -0.000001  -0.000001
    23  H   -0.000507   0.001556   0.181059  -0.024339   0.000004   0.000684
    24  H    0.022634   0.007678  -0.000158  -0.000806  -0.000001  -0.000023
              19         20         21         22         23         24
     1  C   -0.025419   0.000191   0.018319  -0.000502  -0.000679   0.001822
     2  C    0.006263   0.000500  -0.001597   0.000870   0.043753  -0.000559
     3  C    0.120089  -0.133362  -0.064949   0.057056  -0.000386  -0.021450
     4  C    0.026492  -0.036215  -0.000022   0.074982   0.005725   0.017459
     5  O    0.001545  -0.051482   0.038813  -0.041016   0.005708   0.035423
     6  C    0.000539  -0.014774  -0.003178   0.007696   0.033204  -0.002099
     7  O   -0.008800   0.003758   0.000638  -0.000498   0.000120   0.000009
     8  H   -0.001378   0.002765   0.002463   0.000304   0.000095  -0.000207
     9  O    0.000892   0.000689   0.000169  -0.000097   0.002757   0.000169
    10  H    0.000408   0.002412   0.000343   0.000034   0.002870   0.001200
    11  H   -0.022476  -0.006418  -0.006401   0.006511   0.000244  -0.009745
    12  O    0.179450   0.022456  -0.002516  -0.000962   0.000273  -0.003204
    13  C    0.000433   0.356610   0.294237   0.249227  -0.000507   0.022634
    14  H   -0.000922  -0.010200  -0.006273  -0.010495   0.001556   0.007678
    15  O   -0.000044   0.002573   0.000784  -0.002706   0.181059  -0.000158
    16  H    0.000104  -0.002062  -0.000242  -0.001321  -0.024339  -0.000806
    17  H   -0.000157  -0.000271  -0.000014  -0.000001   0.000004  -0.000001
    18  H    0.000023  -0.000005  -0.000005  -0.000001   0.000684  -0.000023
    19  H    0.530464  -0.000904  -0.000970  -0.000230  -0.000009   0.000116
    20  O   -0.000904   7.977246   0.001573   0.015793  -0.000373   0.248290
    21  H   -0.000970   0.001573   0.874040  -0.104996   0.000005   0.002576
    22  H   -0.000230   0.015793  -0.104996   0.805790   0.000199  -0.020664
    23  H   -0.000009  -0.000373   0.000005   0.000199   0.546103   0.000120
    24  H    0.000116   0.248290   0.002576  -0.020664   0.000120   0.472180
 Mulliken charges:
               1
     1  C   -0.123488
     2  C   -0.084373
     3  C    0.060892
     4  C   -0.271845
     5  O   -0.285214
     6  C    0.329318
     7  O   -0.031967
     8  H   -0.014292
     9  O   -0.066221
    10  H   -0.131388
    11  H   -0.210960
    12  O   -0.042286
    13  C    0.786310
    14  H   -0.179777
    15  O   -0.058383
    16  H   -0.255938
    17  H    0.188256
    18  H    0.202367
    19  H    0.194490
    20  O   -0.378787
    21  H   -0.042797
    22  H   -0.034973
    23  H    0.201815
    24  H    0.249241
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.137781
     2  C   -0.215761
     3  C   -0.150068
     4  C   -0.451622
     5  O   -0.285214
     6  C    0.073380
     7  O    0.156289
     9  O    0.136145
    12  O    0.152205
    13  C    0.708540
    15  O    0.143432
    20  O   -0.129546
 Electronic spatial extent (au):  <R**2>=           2113.4378
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.4685    Y=             -2.0266    Z=             -1.8355  Tot=              3.6837
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -77.3128   YY=            -66.5987   ZZ=            -72.1040
   XY=              0.3384   XZ=             -3.8601   YZ=              3.4977
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.3077   YY=              5.4065   ZZ=             -0.0989
   XY=              0.3384   XZ=             -3.8601   YZ=              3.4977
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -41.0256  YYY=            -17.6033  ZZZ=              2.0553  XYY=            -10.2020
  XXY=             -3.3527  XXZ=             -7.2508  XZZ=             -6.9819  YZZ=             -8.4108
  YYZ=             -6.7659  XYZ=              0.8434
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1451.6163 YYYY=           -782.2354 ZZZZ=           -207.5157 XXXY=             22.0952
 XXXZ=            -87.3655 YYYX=             18.4255 YYYZ=             24.6525 ZZZX=              2.4905
 ZZZY=             -3.0888 XXYY=           -369.2682 XXZZ=           -291.1576 YYZZ=           -194.2340
 XXYZ=             17.6459 YYXZ=             27.5749 ZZXY=             -2.5051
 N-N= 8.322526422312D+02 E-N=-3.271799276031D+03  KE= 6.792335040344D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Sep 27 12:09:18 2021, MaxMem=  6442450944 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-9.50149552D-01-7.53181633D-01-6.16387396D-01
 Polarizability= 1.02930924D+02 1.59990274D+00 9.62713087D+01
                -2.38552572D+00 4.73169925D-01 7.96383503D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.8529    0.8524        0.4825    0.4783
 2     -0.8529   -0.8524       -0.0575   -0.0577       -3.2912   -3.2841
 3     -0.4825   -0.4783       11.1578   11.1642        0.0568    0.0577
 4      0.0575    0.0577        0.0000    0.0000       -0.4785   -0.4783
 5     -7.8666   -7.8801        0.4785    0.4783        0.8513    0.8524
 6     -0.0568   -0.0577       -0.8513   -0.8524        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.5572   -2.5572        1.4349    1.4349
 2      0.1730    0.1730        0.0000    0.0000        1.4349    1.4349
 3      0.1730    0.1730       -2.5572   -2.5572        0.0000    0.0000
 4     -2.5572   -2.5572       -0.1730   -0.1730       -9.8523   -9.8523
 5     -1.4349   -1.4349       33.4926   33.4926        0.1730    0.1730
 6    -23.6403  -23.6403        1.4349    1.4349        2.5572    2.5572
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0593    0.0000       -3.6625   -3.4096       -2.1241   -1.9132
 2      3.3161    3.4096        0.4033    0.2306       13.3263   13.1364
 3      2.1317    1.9132      -45.4701  -44.6568       -0.4467   -0.2306
 4     -0.5921   -0.2306        0.0428    0.0000        2.4388    1.9132
 5     31.7374   31.5205       -2.3845   -1.9132       -3.2443   -3.4096
 6      0.1408    0.2306        3.1799    3.4096        0.0898    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0440    0.0000        1.7697    1.5960       -2.5009   -2.5746
 2     -1.3475   -1.5960        5.5076    5.6957       10.3564   10.4480
 3      2.6787    2.5746       -0.1731   -0.5092       -5.3675   -5.6957
 4     -6.0290   -5.6957        0.0290    0.0000        2.3639    2.5746
 5     -9.9282   -9.9388       -2.7611   -2.5746        1.5453    1.5960
 6      6.0108    5.6957       -1.7147   -1.5960        0.2286    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -23.7149  -23.6115        9.0358    8.7430        1.7606    1.3957
 2    -35.6406  -35.0050       15.2260   14.7840        1.2495    1.3957
 3    -35.6680  -35.0050        9.3742    8.7430        3.2197    3.0219
 4     -5.7212   -6.0410       11.0161   11.3935        7.1776    7.4261
 5      1.8657    1.6262        2.8985    2.3387      -10.5234  -11.3935
 6     -9.8672   -9.7648       -2.2642   -1.6262        6.5612    6.0410
 Full mass-weighted force constant matrix:
 Low frequencies ---   -4.2536    0.0009    0.0011    0.0011    1.5940    6.0913
 Low frequencies ---   71.0075   91.9562  118.6735
 Diagonal vibrational polarizability:
       79.5016150      49.8743605      62.4433998
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     71.0072                91.9561               118.6734
 Red. masses --      6.1497                 5.4982                 6.6892
 Frc consts  --      0.0183                 0.0274                 0.0555
 IR Inten    --      1.0587                 2.4853                 2.4488
 RamAct Fr= 1--      0.0498                 0.1908                 0.0378
  Dep-P Fr= 1--      0.6497                 0.7442                 0.7047
  Dep-U Fr= 1--      0.7877                 0.8533                 0.8267
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0065                 0.0271                 0.0052
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0014                 0.0708                 0.0363
 Delta2 Fr= 1--     -0.0043                -0.0118                 0.0177
 Raman1 Fr= 1--       0.199                  0.763                  0.151
 ROA1   Fr= 1--      -0.006                  6.422                  4.047
 CID1   Fr= 1--      -0.031                  8.414                 26.791
 Raman2 Fr= 1--       0.078                  0.326                  0.062
 ROA2   Fr= 1--       0.067                  1.795                  0.729
 CID2   Fr= 1--       0.858                  5.511                 11.676
 Raman3 Fr= 1--       0.157                  0.651                  0.125
 ROA3   Fr= 1--      -0.006                  6.422                  4.047
 CID3   Fr= 1--      -0.039                  9.860                 32.405
 RC180  Fr= 1--       0.575                  0.707                  0.653
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.01   0.07    -0.01   0.04   0.09
     2   6     0.07  -0.02   0.07    -0.04  -0.02  -0.02    -0.04   0.01  -0.05
     3   6     0.02   0.03  -0.11     0.02  -0.05  -0.02     0.01   0.08  -0.06
     4   6     0.05   0.00  -0.04    -0.03  -0.09   0.03     0.01   0.04   0.01
     5   8     0.01  -0.00  -0.11    -0.05  -0.04   0.11     0.04   0.06   0.09
     6   6     0.01   0.04  -0.08    -0.02  -0.00  -0.02     0.05  -0.01   0.05
     7   8     0.05  -0.01   0.05     0.09  -0.06   0.21     0.04  -0.06   0.30
     8   1    -0.10  -0.01   0.03    -0.04   0.10   0.10    -0.08   0.20   0.12
     9   8     0.03  -0.02   0.28    -0.02   0.04  -0.10     0.01  -0.00  -0.29
    10   1     0.23  -0.08   0.04    -0.11  -0.06  -0.01    -0.21   0.01  -0.03
    11   1     0.10   0.14  -0.12     0.08   0.00  -0.03     0.14   0.19  -0.08
    12   8    -0.04  -0.00  -0.27     0.01  -0.10  -0.12    -0.10   0.05  -0.27
    13   6     0.01  -0.00   0.17    -0.01  -0.05  -0.02     0.01   0.03   0.03
    14   1     0.18  -0.01  -0.05    -0.07  -0.16   0.03    -0.00  -0.02   0.01
    15   8     0.01  -0.01  -0.19    -0.12  -0.01  -0.15     0.09   0.00   0.12
    16   1    -0.01   0.16  -0.07     0.10   0.06  -0.03     0.07  -0.09   0.04
    17   1     0.03  -0.05   0.17     0.10   0.04   0.19     0.05   0.06   0.23
    18   1     0.10  -0.08   0.25    -0.06   0.03  -0.18    -0.05   0.04  -0.28
    19   1     0.03   0.02  -0.24     0.12  -0.07  -0.06     0.01   0.07  -0.20
    20   8    -0.21   0.01   0.20     0.14   0.34   0.02    -0.09  -0.22  -0.00
    21   1     0.05  -0.01   0.25    -0.02  -0.14  -0.32     0.01   0.09   0.21
    22   1     0.09  -0.01   0.23    -0.10  -0.22   0.19     0.06   0.14  -0.11
    23   1    -0.02   0.04  -0.28    -0.08   0.01  -0.15     0.14  -0.02   0.19
    24   1    -0.27   0.02   0.11     0.28   0.32   0.28    -0.21  -0.17  -0.15
                      4                      5                      6
                      A                      A                      A
 Frequencies --    140.5943               231.3316               241.7153
 Red. masses --      6.3874                 2.9487                 2.9404
 Frc consts  --      0.0744                 0.0930                 0.1012
 IR Inten    --      0.7573                19.8499                 5.8194
 RamAct Fr= 1--      0.0647                 0.2348                 0.3516
  Dep-P Fr= 1--      0.5707                 0.5271                 0.7310
  Dep-U Fr= 1--      0.7267                 0.6903                 0.8446
 Alpha2 Fr= 1--      0.0002                 0.0010                 0.0001
 Beta2  Fr= 1--      0.0078                 0.0270                 0.0495
 AlphaG Fr= 1--     -0.0001                -0.0036                 0.0006
 Gamma2 Fr= 1--      0.0097                -0.0001                -0.0484
 Delta2 Fr= 1--     -0.0116                 0.0327                -0.0547
 Raman1 Fr= 1--       0.259                  0.939                  1.406
 ROA1   Fr= 1--       0.564                  1.035                 -6.396
 CID1   Fr= 1--       2.177                  1.102                 -4.547
 Raman2 Fr= 1--       0.094                  0.324                  0.594
 ROA2   Fr= 1--       0.326                 -0.264                 -0.723
 CID2   Fr= 1--       3.463                 -0.815                 -1.218
 Raman3 Fr= 1--       0.188                  0.648                  1.188
 ROA3   Fr= 1--       0.564                  1.035                 -6.396
 CID3   Fr= 1--       2.995                  1.597                 -5.384
 RC180  Fr= 1--       0.453                  0.381                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.00   0.02    -0.02   0.01   0.01    -0.03   0.08  -0.04
     2   6    -0.02   0.00   0.07    -0.03   0.01   0.05     0.06   0.03  -0.06
     3   6    -0.01   0.07   0.05    -0.03  -0.04  -0.02    -0.02   0.02  -0.01
     4   6     0.00   0.00   0.17    -0.01  -0.02  -0.03    -0.02  -0.00   0.02
     5   8     0.00   0.05   0.28     0.02  -0.02   0.04     0.02  -0.05  -0.02
     6   6     0.04   0.05   0.03     0.03   0.03   0.04     0.02   0.01  -0.02
     7   8    -0.10   0.06  -0.13     0.22   0.12  -0.01    -0.12  -0.01   0.05
     8   1     0.01  -0.11  -0.00    -0.07   0.00   0.02    -0.02   0.13  -0.03
     9   8    -0.02  -0.02   0.08    -0.04  -0.20  -0.02     0.02  -0.14   0.02
    10   1    -0.01  -0.00   0.07    -0.04   0.05   0.05     0.12   0.05  -0.06
    11   1     0.01   0.22   0.05    -0.04  -0.09  -0.02    -0.06   0.04  -0.00
    12   8    -0.08   0.02  -0.13    -0.06   0.01   0.05     0.15  -0.10  -0.04
    13   6     0.04  -0.00   0.01    -0.00   0.05  -0.02     0.01   0.11   0.02
    14   1    -0.07  -0.08   0.17    -0.04  -0.06  -0.03    -0.01   0.00   0.02
    15   8    -0.08  -0.00  -0.26    -0.03   0.03  -0.02    -0.12   0.12   0.06
    16   1     0.27   0.20   0.01     0.04   0.08   0.05     0.03  -0.04  -0.03
    17   1    -0.10  -0.00  -0.16     0.27   0.54  -0.23    -0.14  -0.18   0.18
    18   1     0.01  -0.08  -0.05     0.15  -0.42  -0.29     0.20  -0.30  -0.11
    19   1    -0.13   0.05  -0.26    -0.21  -0.04  -0.01     0.44  -0.02   0.09
    20   8     0.23  -0.22  -0.06    -0.06   0.01  -0.02     0.02  -0.01  -0.01
    21   1    -0.01   0.05   0.05    -0.04   0.09   0.04    -0.10   0.22   0.12
    22   1    -0.00   0.10  -0.16     0.07   0.08  -0.04     0.13   0.22  -0.07
    23   1    -0.01   0.07  -0.34    -0.16   0.06  -0.13    -0.45   0.08  -0.05
    24   1     0.24  -0.22  -0.06    -0.08   0.01  -0.06     0.11  -0.13  -0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    253.1725               267.2265               285.6060
 Red. masses --      3.9731                 2.4207                 1.8791
 Frc consts  --      0.1500                 0.1018                 0.0903
 IR Inten    --      2.6964                 4.1559                68.1916
 RamAct Fr= 1--      0.6383                 0.1692                 0.7265
  Dep-P Fr= 1--      0.2475                 0.2408                 0.4116
  Dep-U Fr= 1--      0.3968                 0.3881                 0.5831
 Alpha2 Fr= 1--      0.0076                 0.0021                 0.0052
 Beta2  Fr= 1--      0.0422                 0.0109                 0.0706
 AlphaG Fr= 1--      0.0002                 0.0030                 0.0094
 Gamma2 Fr= 1--     -0.1072                 0.0442                -0.1883
 Delta2 Fr= 1--      0.0174                 0.0390                -0.0261
 Raman1 Fr= 1--       2.553                  0.677                  2.906
 ROA1   Fr= 1--      -9.739                  5.492                -18.912
 CID1   Fr= 1--      -3.815                  8.116                 -6.508
 Raman2 Fr= 1--       0.507                  0.131                  0.847
 ROA2   Fr= 1--      -2.713                  0.750                 -4.310
 CID2   Fr= 1--      -5.356                  5.708                 -5.087
 Raman3 Fr= 1--       1.013                  0.263                  1.695
 ROA3   Fr= 1--      -9.739                  5.492                -18.912
 CID3   Fr= 1--      -9.614                 20.912                -11.160
 RC180  Fr= 1--      -0.206                 -0.224                  0.166
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.02     0.02  -0.04   0.02    -0.06   0.04  -0.05
     2   6    -0.03   0.00  -0.00    -0.01  -0.02   0.03    -0.07   0.02  -0.05
     3   6    -0.03  -0.03   0.02    -0.02  -0.06   0.01    -0.05  -0.01  -0.04
     4   6     0.06  -0.01   0.03    -0.04  -0.03   0.00    -0.00  -0.00   0.01
     5   8    -0.02  -0.07  -0.22     0.01  -0.05   0.04    -0.03   0.03  -0.01
     6   6    -0.07   0.00  -0.05    -0.01  -0.05   0.03    -0.03   0.02  -0.04
     7   8     0.05  -0.00   0.00     0.06  -0.01  -0.02     0.04   0.04   0.03
     8   1     0.01  -0.04   0.02     0.01  -0.07   0.01    -0.08   0.10  -0.04
     9   8    -0.02   0.04  -0.02     0.02   0.13  -0.01    -0.11  -0.03   0.05
    10   1    -0.05  -0.04  -0.01    -0.05  -0.02   0.03    -0.01   0.03  -0.06
    11   1    -0.01   0.02   0.02    -0.00  -0.07   0.01    -0.11  -0.01  -0.02
    12   8    -0.17   0.03  -0.04     0.02  -0.09  -0.00     0.05  -0.07  -0.01
    13   6     0.08   0.04   0.11     0.01   0.23   0.00     0.01   0.02   0.04
    14   1     0.23   0.11   0.03    -0.08  -0.05   0.00     0.05  -0.02   0.00
    15   8    -0.07   0.06   0.09    -0.01  -0.07  -0.03     0.06  -0.01  -0.02
    16   1    -0.21  -0.02  -0.03     0.02  -0.02   0.03    -0.01  -0.01  -0.05
    17   1     0.07   0.11  -0.07     0.06   0.03  -0.04     0.05   0.14   0.05
    18   1    -0.05   0.05  -0.03    -0.13   0.29   0.15    -0.06  -0.02   0.15
    19   1    -0.37  -0.02  -0.15    -0.01  -0.07  -0.08     0.25  -0.04   0.13
    20   8     0.23  -0.04   0.09    -0.06   0.02  -0.02     0.07  -0.03   0.02
    21   1    -0.00   0.12   0.15    -0.22   0.47   0.22    -0.03   0.05   0.06
    22   1     0.16   0.12   0.04     0.33   0.44  -0.14     0.03   0.05   0.00
    23   1    -0.33   0.03   0.00     0.01  -0.04  -0.06     0.72  -0.09   0.44
    24   1     0.48  -0.27   0.07     0.06  -0.16  -0.21     0.14  -0.09   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    300.0200               333.9123               367.6705
 Red. masses --      3.6516                 1.4431                 1.2650
 Frc consts  --      0.1937                 0.0948                 0.1008
 IR Inten    --     10.0981                32.2038                88.7901
 RamAct Fr= 1--      0.3367                 1.8801                 0.7765
  Dep-P Fr= 1--      0.6600                 0.2887                 0.6664
  Dep-U Fr= 1--      0.7952                 0.4480                 0.7998
 Alpha2 Fr= 1--      0.0005                 0.0199                 0.0012
 Beta2  Fr= 1--      0.0446                 0.1404                 0.1035
 AlphaG Fr= 1--     -0.0023                -0.0180                 0.0007
 Gamma2 Fr= 1--      0.1055                 0.2427                 0.0369
 Delta2 Fr= 1--      0.1116                 0.3906                -0.2076
 Raman1 Fr= 1--       1.347                  7.521                  3.106
 ROA1   Fr= 1--      13.693                 35.798                 -3.102
 CID1   Fr= 1--      10.168                  4.760                 -0.999
 Raman2 Fr= 1--       0.535                  1.685                  1.242
 ROA2   Fr= 1--       1.638                  2.700                  2.546
 CID2   Fr= 1--       3.060                  1.603                  2.050
 Raman3 Fr= 1--       1.071                  3.369                  2.484
 ROA3   Fr= 1--      13.693                 35.798                 -3.102
 CID3   Fr= 1--      12.787                 10.624                 -1.249
 RC180  Fr= 1--       0.590                 -0.104                  0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.17     0.03  -0.02   0.04    -0.00  -0.04   0.01
     2   6     0.03  -0.00  -0.15     0.05  -0.00   0.02    -0.02   0.00   0.06
     3   6    -0.02  -0.02  -0.14     0.02  -0.01   0.04     0.00  -0.03  -0.02
     4   6     0.04  -0.04  -0.05    -0.00  -0.01   0.00     0.02  -0.01  -0.03
     5   8     0.01   0.02   0.16     0.01  -0.05  -0.01     0.00   0.01  -0.00
     6   6     0.02  -0.04  -0.05     0.02   0.02  -0.01    -0.01   0.03   0.04
     7   8     0.09  -0.13   0.04    -0.03  -0.01  -0.01     0.02   0.00  -0.05
     8   1    -0.05   0.10  -0.14     0.05  -0.04   0.03    -0.02  -0.09   0.01
     9   8    -0.01   0.02   0.07     0.06   0.01   0.01    -0.01   0.04  -0.00
    10   1     0.17   0.03  -0.16     0.04  -0.04   0.01    -0.06   0.00   0.06
    11   1    -0.13  -0.11  -0.12     0.05  -0.01   0.03     0.04  -0.05  -0.03
    12   8    -0.08   0.14   0.09    -0.02  -0.01   0.00    -0.06   0.01  -0.02
    13   6     0.06   0.02   0.01    -0.00   0.01  -0.02     0.03   0.00   0.00
    14   1     0.03  -0.23  -0.06    -0.04   0.01   0.01     0.03  -0.04  -0.03
    15   8    -0.12   0.07   0.01    -0.08   0.08  -0.02    -0.00   0.01  -0.00
    16   1     0.18  -0.17  -0.08     0.04   0.04  -0.02    -0.02   0.07   0.04
    17   1     0.05  -0.26   0.40    -0.04  -0.07  -0.03    -0.04  -0.26   0.34
    18   1     0.00   0.11   0.33     0.10  -0.15  -0.35     0.03  -0.16  -0.47
    19   1    -0.28   0.02   0.16    -0.29  -0.01  -0.28     0.42  -0.02   0.58
    20   8     0.00  -0.02   0.00    -0.03   0.01  -0.01    -0.00  -0.00   0.00
    21   1     0.01   0.08   0.06    -0.02   0.03  -0.00     0.01   0.02   0.02
    22   1     0.15   0.07  -0.01     0.02   0.02  -0.02     0.07   0.02   0.00
    23   1    -0.10  -0.04   0.19     0.56  -0.07   0.54     0.07   0.02   0.02
    24   1    -0.08   0.04  -0.02    -0.05   0.02  -0.02     0.01  -0.02  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    380.8914               385.3337               406.5894
 Red. masses --      1.2778                 1.5244                 1.7773
 Frc consts  --      0.1092                 0.1334                 0.1731
 IR Inten    --     69.7508               140.9349               115.4456
 RamAct Fr= 1--      0.9158                 0.6545                 2.4875
  Dep-P Fr= 1--      0.6625                 0.5789                 0.7498
  Dep-U Fr= 1--      0.7970                 0.7333                 0.8570
 Alpha2 Fr= 1--      0.0014                 0.0021                 0.0000
 Beta2  Fr= 1--      0.1216                 0.0800                 0.3553
 AlphaG Fr= 1--     -0.0006                -0.0034                -0.0000
 Gamma2 Fr= 1--     -0.0966                 0.0603                -0.3088
 Delta2 Fr= 1--      0.0355                -0.0753                -0.2741
 Raman1 Fr= 1--       3.663                  2.618                  9.950
 ROA1   Fr= 1--      -8.138                  3.380                -38.420
 CID1   Fr= 1--      -2.221                  1.291                 -3.861
 Raman2 Fr= 1--       1.460                  0.960                  4.264
 ROA2   Fr= 1--      -2.603                  2.050                 -5.219
 CID2   Fr= 1--      -1.783                  2.136                 -1.224
 Raman3 Fr= 1--       2.920                  1.920                  8.527
 ROA3   Fr= 1--      -8.138                  3.380                -38.420
 CID3   Fr= 1--      -2.787                  1.761                 -4.505
 RC180  Fr= 1--       0.594                  0.467                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.01     0.00  -0.00   0.04     0.04   0.03  -0.00
     2   6    -0.01   0.02   0.02     0.02   0.01   0.04     0.06  -0.02  -0.03
     3   6    -0.02  -0.03   0.01    -0.00  -0.02   0.02     0.01   0.06   0.03
     4   6    -0.00  -0.01  -0.00     0.02  -0.02  -0.01    -0.07   0.02   0.04
     5   8     0.01  -0.01  -0.01     0.04  -0.04  -0.01    -0.04  -0.02   0.01
     6   6     0.02   0.03   0.02     0.03   0.03   0.02    -0.01  -0.06  -0.02
     7   8     0.02   0.07  -0.03    -0.02   0.02  -0.01     0.05   0.05  -0.02
     8   1    -0.04  -0.01   0.01     0.02  -0.03   0.04     0.06   0.04  -0.01
     9   8    -0.01  -0.03  -0.05     0.04  -0.06  -0.07     0.06  -0.03  -0.01
    10   1    -0.05   0.03   0.03    -0.03   0.01   0.04     0.08  -0.04  -0.04
    11   1    -0.03  -0.03   0.01     0.05  -0.02   0.01     0.03   0.09   0.02
    12   8     0.00  -0.04   0.02    -0.07  -0.00  -0.02    -0.01   0.08  -0.02
    13   6    -0.00  -0.01  -0.00     0.02  -0.01  -0.01    -0.09  -0.02   0.01
    14   1    -0.00   0.00  -0.00    -0.00  -0.01  -0.00    -0.09   0.03   0.04
    15   8     0.04   0.02  -0.01    -0.05   0.07  -0.03    -0.03  -0.07  -0.00
    16   1     0.00   0.07   0.02     0.03   0.09   0.02    -0.02  -0.09  -0.03
    17   1    -0.08  -0.43   0.73    -0.01   0.06  -0.14     0.03  -0.05   0.17
    18   1    -0.04   0.07   0.19    -0.09   0.33   0.74     0.06   0.01   0.09
    19   1    -0.27  -0.02  -0.34     0.25  -0.02   0.37     0.10   0.07   0.15
    20   8    -0.00   0.00   0.00    -0.01   0.00  -0.01    -0.04   0.03   0.01
    21   1     0.01  -0.02  -0.01     0.02  -0.02  -0.02    -0.07  -0.05  -0.03
    22   1    -0.02  -0.02   0.01     0.01  -0.02  -0.00    -0.13  -0.04   0.02
    23   1    -0.00   0.05  -0.08     0.14   0.02   0.14     0.09  -0.09   0.09
    24   1     0.01  -0.01   0.00    -0.10   0.08  -0.00     0.61  -0.61  -0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    420.6217               427.2696               455.6707
 Red. masses --      2.1974                 3.7149                 5.1156
 Frc consts  --      0.2291                 0.3996                 0.6258
 IR Inten    --     50.4607                19.3997                14.0742
 RamAct Fr= 1--      2.1952                 1.8595                 2.9055
  Dep-P Fr= 1--      0.7006                 0.6289                 0.0690
  Dep-U Fr= 1--      0.8239                 0.7722                 0.1291
 Alpha2 Fr= 1--      0.0019                 0.0041                 0.0548
 Beta2  Fr= 1--      0.3014                 0.2393                 0.0625
 AlphaG Fr= 1--      0.0020                -0.0002                -0.0127
 Gamma2 Fr= 1--     -0.7607                 0.3307                -0.0600
 Delta2 Fr= 1--     -0.2793                 0.2811                 0.0301
 Raman1 Fr= 1--       8.781                  7.438                 11.622
 ROA1   Fr= 1--     -81.969                 40.742                 -4.794
 CID1   Fr= 1--      -9.335                  5.477                 -0.413
 Raman2 Fr= 1--       3.617                  2.872                  0.750
 ROA2   Fr= 1--     -16.023                  5.688                 -1.680
 CID2   Fr= 1--      -4.430                  1.981                 -2.239
 Raman3 Fr= 1--       7.235                  5.743                  1.500
 ROA3   Fr= 1--     -81.969                 40.742                 -4.794
 CID3   Fr= 1--     -11.330                  7.094                 -3.195
 RC180  Fr= 1--       0.648                  0.544                 -0.742
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.03   0.03     0.06  -0.12   0.05     0.07  -0.10   0.03
     2   6    -0.01  -0.06  -0.03    -0.09  -0.04   0.11    -0.04  -0.02  -0.15
     3   6     0.05   0.07   0.09     0.14   0.01  -0.04     0.03  -0.08   0.22
     4   6    -0.01   0.08   0.07     0.07   0.04  -0.09     0.01   0.07   0.10
     5   8    -0.05   0.03  -0.03    -0.06   0.15   0.00     0.01   0.13   0.05
     6   6    -0.07  -0.07  -0.04    -0.10   0.08   0.07     0.06   0.07  -0.16
     7   8     0.10   0.01  -0.05    -0.01  -0.13  -0.03     0.07  -0.10  -0.06
     8   1     0.14  -0.06   0.01     0.03  -0.20   0.03     0.34  -0.07  -0.02
     9   8    -0.02  -0.06  -0.00    -0.10  -0.10  -0.05    -0.09   0.00   0.07
    10   1    -0.01  -0.13  -0.04    -0.20  -0.01   0.12     0.03  -0.21  -0.18
    11   1     0.07   0.18   0.09     0.22  -0.05  -0.06     0.07   0.02   0.21
    12   8     0.03   0.04  -0.04     0.14   0.07   0.00    -0.13  -0.18  -0.06
    13   6    -0.02   0.06   0.00     0.07   0.01  -0.00    -0.03  -0.00  -0.05
    14   1    -0.02   0.17   0.09     0.09   0.01  -0.09    -0.09   0.24   0.12
    15   8    -0.09  -0.06   0.01    -0.08   0.03  -0.01     0.12   0.19   0.05
    16   1    -0.09  -0.13  -0.04    -0.15   0.17   0.09     0.16  -0.09  -0.19
    17   1     0.06  -0.14   0.25     0.00  -0.16  -0.12     0.08  -0.09  -0.06
    18   1    -0.02  -0.02   0.08    -0.12   0.01   0.21    -0.00  -0.05   0.06
    19   1     0.15   0.07   0.01    -0.09   0.05  -0.21     0.10  -0.12   0.05
    20   8     0.05  -0.02  -0.02    -0.04   0.03   0.02    -0.10   0.04  -0.04
    21   1    -0.04   0.08   0.01     0.07   0.04   0.06     0.05  -0.07  -0.08
    22   1    -0.04   0.09  -0.05     0.17   0.03   0.02    -0.13  -0.05  -0.03
    23   1     0.01  -0.11   0.14     0.08   0.04   0.06    -0.24   0.11  -0.02
    24   1    -0.52   0.54   0.13     0.39  -0.43  -0.16     0.20  -0.26  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    517.5716               567.8895               593.2295
 Red. masses --      5.2230                 3.2338                 3.8922
 Frc consts  --      0.8243                 0.6145                 0.8070
 IR Inten    --     34.8829                 3.8377                27.3312
 RamAct Fr= 1--     10.4377                 0.9182                 0.2508
  Dep-P Fr= 1--      0.1139                 0.3086                 0.6956
  Dep-U Fr= 1--      0.2045                 0.4716                 0.8205
 Alpha2 Fr= 1--      0.1766                 0.0092                 0.0002
 Beta2  Fr= 1--      0.3557                 0.0722                 0.0343
 AlphaG Fr= 1--      0.0085                 0.0027                -0.0003
 Gamma2 Fr= 1--      0.1368                 0.1121                 0.0994
 Delta2 Fr= 1--     -0.0561                 0.0865                -0.0271
 Raman1 Fr= 1--      41.751                  3.673                  1.003
 ROA1   Fr= 1--      11.333                 13.530                  8.679
 CID1   Fr= 1--       0.271                  3.684                  8.653
 Raman2 Fr= 1--       4.268                  0.866                  0.411
 ROA2   Fr= 1--       3.731                  1.998                  2.603
 CID2   Fr= 1--       0.874                  2.307                  6.327
 Raman3 Fr= 1--       8.537                  1.732                  0.823
 ROA3   Fr= 1--      11.333                 13.530                  8.679
 CID3   Fr= 1--       1.328                  7.811                 10.546
 RC180  Fr= 1--      -0.591                 -0.057                  0.641
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.08   0.14    -0.13  -0.06  -0.05    -0.08  -0.05   0.16
     2   6    -0.12  -0.03  -0.11    -0.04  -0.07   0.06     0.04  -0.18   0.03
     3   6     0.12  -0.00   0.05    -0.13   0.07  -0.00    -0.05  -0.04  -0.11
     4   6     0.14  -0.07  -0.05     0.06   0.18   0.05    -0.02   0.03  -0.14
     5   8     0.12  -0.11   0.03     0.17   0.00  -0.04    -0.05   0.18   0.06
     6   6     0.05  -0.13  -0.08     0.10  -0.06   0.07     0.01  -0.06  -0.16
     7   8    -0.10   0.22   0.01     0.07  -0.05  -0.01    -0.02   0.14  -0.02
     8   1     0.14   0.14   0.13    -0.30  -0.13  -0.03    -0.29  -0.15   0.18
     9   8    -0.21   0.04   0.06    -0.02   0.06  -0.00     0.14   0.01  -0.01
    10   1    -0.15  -0.23  -0.13    -0.08  -0.03   0.07     0.03  -0.58  -0.02
    11   1     0.29  -0.03   0.01    -0.31   0.17   0.04     0.05  -0.23  -0.13
    12   8     0.01   0.07  -0.03     0.05  -0.05   0.00     0.02  -0.06   0.03
    13   6     0.19  -0.05  -0.06     0.02  -0.01  -0.01    -0.02   0.01   0.04
    14   1     0.04  -0.09  -0.04     0.05   0.25   0.05     0.06  -0.10  -0.16
    15   8    -0.07  -0.05   0.02    -0.13  -0.00  -0.02    -0.02   0.04   0.04
    16   1     0.19  -0.30  -0.11     0.13  -0.04   0.07     0.06  -0.17  -0.17
    17   1    -0.12   0.04   0.04     0.08   0.14   0.10    -0.03   0.12   0.02
    18   1    -0.15  -0.04  -0.05    -0.16   0.13  -0.07    -0.07   0.13  -0.03
    19   1    -0.03   0.04   0.00     0.15   0.05  -0.12     0.00  -0.05  -0.01
    20   8    -0.08   0.04  -0.02    -0.03   0.00  -0.01     0.05  -0.02   0.04
    21   1     0.21  -0.04  -0.01     0.29  -0.24  -0.11     0.01  -0.01   0.05
    22   1     0.27  -0.07   0.01    -0.31  -0.17   0.04    -0.02  -0.00   0.05
    23   1    -0.15  -0.15   0.13    -0.06  -0.08   0.15    -0.16  -0.10   0.17
    24   1     0.04  -0.14  -0.19     0.11  -0.17  -0.11     0.04   0.01   0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    630.5132               719.2839               910.3776
 Red. masses --      5.1667                 3.9538                 3.1282
 Frc consts  --      1.2102                 1.2052                 1.5275
 IR Inten    --     32.8417                 2.2993                32.6236
 RamAct Fr= 1--      0.0456                 0.5511                 4.2786
  Dep-P Fr= 1--      0.6640                 0.4242                 0.3054
  Dep-U Fr= 1--      0.7981                 0.5957                 0.4679
 Alpha2 Fr= 1--      0.0001                 0.0037                 0.0432
 Beta2  Fr= 1--      0.0061                 0.0547                 0.3336
 AlphaG Fr= 1--     -0.0000                 0.0039                -0.0316
 Gamma2 Fr= 1--      0.0430                 0.1494                -0.1642
 Delta2 Fr= 1--      0.0235                 0.0243                -0.4870
 Raman1 Fr= 1--       0.182                  2.205                 17.114
 ROA1   Fr= 1--       4.880                 15.116                -31.351
 CID1   Fr= 1--      26.779                  6.857                 -1.832
 Raman2 Fr= 1--       0.073                  0.657                  4.004
 ROA2   Fr= 1--       0.845                  3.391                 -0.045
 CID2   Fr= 1--      11.616                  5.164                 -0.011
 Raman3 Fr= 1--       0.145                  1.313                  8.007
 ROA3   Fr= 1--       4.880                 15.116                -31.351
 CID3   Fr= 1--      33.556                 11.511                 -3.915
 RC180  Fr= 1--       0.596                  0.191                 -0.064
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.10  -0.09    -0.12  -0.03  -0.04    -0.00  -0.03  -0.04
     2   6     0.07   0.11  -0.06     0.01  -0.06   0.05    -0.00  -0.02   0.02
     3   6    -0.01  -0.08   0.07    -0.07   0.07   0.02     0.08  -0.07  -0.07
     4   6     0.11   0.11  -0.06     0.11  -0.08   0.19     0.16  -0.08   0.18
     5   8    -0.04   0.21   0.00    -0.15  -0.05   0.02     0.05   0.11  -0.05
     6   6    -0.10  -0.03   0.09    -0.12   0.05  -0.09     0.05  -0.00   0.01
     7   8    -0.05   0.06   0.05     0.01   0.01   0.01    -0.03   0.06   0.04
     8   1     0.20   0.26  -0.09    -0.32  -0.09  -0.01    -0.12   0.01  -0.01
     9   8     0.11  -0.04  -0.00     0.11  -0.01  -0.02    -0.00   0.00  -0.00
    10   1     0.18   0.36  -0.03     0.08  -0.18   0.02    -0.01   0.02   0.02
    11   1    -0.05  -0.17   0.08    -0.31   0.32   0.08    -0.05   0.06  -0.03
    12   8    -0.14  -0.18   0.01     0.03   0.03   0.00    -0.00  -0.00   0.00
    13   6     0.18  -0.01  -0.02     0.25  -0.06  -0.07    -0.16  -0.06   0.09
    14   1     0.11   0.19  -0.05     0.05  -0.04   0.20     0.62  -0.04   0.13
    15   8    -0.14  -0.20  -0.01     0.07   0.03   0.03    -0.04  -0.03   0.00
    16   1    -0.19  -0.09   0.10    -0.20   0.08  -0.08     0.02  -0.02   0.01
    17   1    -0.05  -0.02  -0.01     0.02   0.15   0.10    -0.04  -0.00  -0.00
    18   1     0.21  -0.08   0.05    -0.02   0.06  -0.04    -0.05   0.02  -0.01
    19   1    -0.07  -0.13  -0.04     0.08   0.07  -0.04    -0.14  -0.12   0.13
    20   8    -0.03   0.02   0.00    -0.09   0.05  -0.07    -0.04   0.03  -0.15
    21   1     0.32  -0.10  -0.01     0.16   0.02  -0.06    -0.49   0.18   0.06
    22   1     0.11  -0.08   0.03     0.36  -0.03  -0.07     0.01   0.14  -0.14
    23   1     0.10  -0.10  -0.04     0.02   0.06  -0.04    -0.04  -0.07   0.06
    24   1     0.01  -0.08  -0.15    -0.07  -0.04  -0.27     0.07   0.06   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    922.4700              1014.3746              1023.7932
 Red. masses --      1.9912                 3.8960                 3.9067
 Frc consts  --      0.9983                 2.3619                 2.4126
 IR Inten    --      5.4616                99.1692                52.4279
 RamAct Fr= 1--      2.0889                 0.4805                 1.1164
  Dep-P Fr= 1--      0.2920                 0.1975                 0.2175
  Dep-U Fr= 1--      0.4520                 0.3299                 0.3572
 Alpha2 Fr= 1--      0.0219                 0.0066                 0.0145
 Beta2  Fr= 1--      0.1574                 0.0264                 0.0665
 AlphaG Fr= 1--     -0.0244                 0.0069                -0.0166
 Gamma2 Fr= 1--     -0.1818                 0.3897                 0.4160
 Delta2 Fr= 1--      0.2468                 0.5124                 0.3502
 Raman1 Fr= 1--       8.355                  1.922                  4.466
 ROA1   Fr= 1--      -9.550                 53.809                 51.143
 CID1   Fr= 1--      -1.143                 27.995                 11.453
 Raman2 Fr= 1--       1.888                  0.317                  0.798
 ROA2   Fr= 1--      -6.337                  5.253                  7.182
 CID2   Fr= 1--      -3.356                 16.572                  9.005
 Raman3 Fr= 1--       3.777                  0.634                  1.595
 ROA3   Fr= 1--      -9.550                 53.809                 51.143
 CID3   Fr= 1--      -2.529                 84.870                 32.061
 RC180  Fr= 1--      -0.096                 -0.340                 -0.286
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.03     0.07   0.10   0.20     0.23   0.05  -0.16
     2   6    -0.01  -0.02  -0.01     0.12   0.17   0.08     0.11  -0.16   0.17
     3   6    -0.02   0.07   0.11    -0.13   0.15  -0.09     0.01   0.09  -0.11
     4   6    -0.05  -0.08  -0.07     0.02  -0.02  -0.01    -0.08  -0.02   0.06
     5   8     0.02   0.08  -0.04    -0.01   0.00   0.01     0.00   0.04  -0.03
     6   6     0.09  -0.02   0.04     0.06   0.01  -0.14    -0.01  -0.08  -0.01
     7   8     0.01  -0.02  -0.01     0.05  -0.11  -0.07    -0.01   0.09   0.08
     8   1    -0.01  -0.01  -0.04    -0.09  -0.10   0.18     0.08   0.11  -0.12
     9   8     0.01   0.01   0.00    -0.11   0.02  -0.04    -0.13  -0.01  -0.03
    10   1     0.00   0.06   0.00    -0.07  -0.04   0.07     0.06  -0.15   0.16
    11   1    -0.06   0.14   0.12    -0.16   0.10  -0.07    -0.29   0.17  -0.04
    12   8    -0.00   0.01  -0.00    -0.05  -0.06   0.06    -0.06  -0.08   0.05
    13   6     0.01  -0.15  -0.06     0.03  -0.05   0.07     0.04  -0.01  -0.07
    14   1    -0.23   0.10  -0.05     0.20  -0.23  -0.05    -0.23   0.01   0.07
    15   8    -0.02  -0.00  -0.01    -0.02  -0.08   0.03     0.03   0.07  -0.03
    16   1     0.10  -0.02   0.04     0.05  -0.06  -0.13    -0.05   0.11   0.02
    17   1     0.02   0.12   0.08     0.05  -0.28  -0.21    -0.03  -0.39  -0.28
    18   1    -0.04   0.03  -0.01     0.36  -0.20   0.17    -0.38   0.10  -0.14
    19   1     0.13   0.11  -0.11     0.22   0.16  -0.20    -0.04  -0.07   0.05
    20   8     0.01   0.01   0.04    -0.02   0.02  -0.08     0.00  -0.00   0.06
    21   1    -0.38   0.23   0.23    -0.03   0.01   0.12     0.01   0.02  -0.06
    22   1     0.61   0.12  -0.13     0.12   0.02  -0.00     0.08  -0.01  -0.04
    23   1    -0.04  -0.04   0.04    -0.11  -0.18   0.13    -0.14  -0.11   0.16
    24   1     0.07   0.05   0.27     0.04   0.02   0.06    -0.04  -0.02  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1039.1561              1064.6092              1075.0355
 Red. masses --      2.8629                 4.2173                 4.6457
 Frc consts  --      1.8215                 2.8162                 3.1634
 IR Inten    --     32.9089                13.7859               150.9676
 RamAct Fr= 1--      0.6100                 7.7122                 1.5921
  Dep-P Fr= 1--      0.5313                 0.1015                 0.7180
  Dep-U Fr= 1--      0.6939                 0.1843                 0.8358
 Alpha2 Fr= 1--      0.0026                 0.1345                 0.0009
 Beta2  Fr= 1--      0.0705                 0.2369                 0.2218
 AlphaG Fr= 1--      0.0085                 0.0607                -0.0048
 Gamma2 Fr= 1--      0.8797                -0.7008                -1.2528
 Delta2 Fr= 1--      0.5283                -0.4363                -0.4557
 Raman1 Fr= 1--       2.440                 30.849                  6.368
 ROA1   Fr= 1--     101.355                -81.234               -134.857
 CID1   Fr= 1--      41.542                 -2.633                -21.177
 Raman2 Fr= 1--       0.846                  2.842                  2.661
 ROA2   Fr= 1--      16.885                -13.328                -26.422
 CID2   Fr= 1--      19.948                 -4.689                 -9.928
 Raman3 Fr= 1--       1.693                  5.685                  5.323
 ROA3   Fr= 1--     101.355                -81.234               -134.857
 CID3   Fr= 1--      59.868                -14.290                -25.336
 RC180  Fr= 1--       0.388                 -0.631                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.01   0.01     0.07  -0.01   0.15     0.01   0.05   0.08
     2   6    -0.00   0.15   0.09    -0.01  -0.09  -0.21    -0.01   0.01  -0.07
     3   6     0.06  -0.12  -0.03    -0.12  -0.02  -0.11    -0.02   0.06  -0.05
     4   6    -0.09  -0.06   0.14    -0.12  -0.09   0.14     0.02  -0.12   0.07
     5   8     0.01   0.09  -0.05    -0.08   0.09  -0.13     0.28   0.05   0.01
     6   6     0.09  -0.04  -0.11     0.17   0.06   0.22    -0.29   0.10  -0.02
     7   8    -0.01  -0.02  -0.01     0.02   0.01  -0.02     0.02  -0.03  -0.04
     8   1    -0.22  -0.12   0.02     0.12   0.11   0.15    -0.12   0.03   0.10
     9   8    -0.01   0.01  -0.02     0.00   0.01   0.04     0.03  -0.01   0.01
    10   1    -0.03   0.25   0.11    -0.14  -0.23  -0.20     0.01  -0.38  -0.13
    11   1     0.09  -0.02  -0.03    -0.10   0.06  -0.11    -0.10   0.14  -0.03
    12   8     0.04   0.04  -0.03     0.03   0.03   0.00    -0.02  -0.03   0.03
    13   6     0.03   0.05  -0.13     0.11   0.02   0.01    -0.08   0.00  -0.19
    14   1    -0.29   0.07   0.16    -0.11  -0.19   0.12     0.06  -0.09   0.04
    15   8    -0.01  -0.05   0.00    -0.05  -0.01   0.00    -0.03  -0.03   0.04
    16   1     0.12  -0.06  -0.12     0.15  -0.04   0.21    -0.19  -0.05  -0.03
    17   1    -0.01   0.07   0.06     0.01  -0.24  -0.17     0.01  -0.05  -0.03
    18   1     0.21  -0.09   0.08     0.02  -0.01   0.03     0.06  -0.03  -0.01
    19   1    -0.25  -0.20   0.23    -0.06  -0.04   0.06     0.06   0.05  -0.07
    20   8     0.01  -0.02   0.12    -0.01   0.00  -0.00     0.01  -0.02   0.15
    21   1     0.01   0.01  -0.26     0.08  -0.03  -0.20    -0.28   0.11  -0.27
    22   1    -0.08  -0.06  -0.01    -0.02  -0.09   0.10    -0.01  -0.00  -0.12
    23   1    -0.23  -0.29   0.26     0.23   0.23  -0.23     0.27   0.28  -0.29
    24   1    -0.11  -0.04  -0.19    -0.11  -0.01  -0.27    -0.05  -0.06  -0.08
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1085.1387              1100.6041              1112.1240
 Red. masses --      2.7408                 2.3049                 2.6797
 Frc consts  --      1.9015                 1.6450                 1.9527
 IR Inten    --    153.7214               166.8527                81.7796
 RamAct Fr= 1--      2.3447                 0.6626                 5.8706
  Dep-P Fr= 1--      0.5196                 0.5093                 0.7481
  Dep-U Fr= 1--      0.6839                 0.6749                 0.8559
 Alpha2 Fr= 1--      0.0105                 0.0031                 0.0002
 Beta2  Fr= 1--      0.2672                 0.0745                 0.8374
 AlphaG Fr= 1--      0.0068                -0.0014                -0.0001
 Gamma2 Fr= 1--      0.3998                 0.5484                -0.6053
 Delta2 Fr= 1--      0.0549                 0.1227                -0.4177
 Raman1 Fr= 1--       9.379                  2.651                 23.482
 ROA1   Fr= 1--      40.140                 56.574                -71.480
 CID1   Fr= 1--       4.280                 21.344                 -3.044
 Raman2 Fr= 1--       3.207                  0.894                 10.049
 ROA2   Fr= 1--       9.156                 12.180                -11.186
 CID2   Fr= 1--       2.855                 13.617                 -1.113
 Raman3 Fr= 1--       6.414                  1.789                 20.098
 ROA3   Fr= 1--      40.140                 56.574                -71.480
 CID3   Fr= 1--       6.258                 31.625                 -3.557
 RC180  Fr= 1--       0.368                  0.350                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.03     0.07  -0.03   0.03    -0.09   0.26   0.01
     2   6     0.11   0.02  -0.09    -0.05   0.05  -0.00     0.07  -0.08   0.04
     3   6     0.13   0.05  -0.11    -0.10  -0.12  -0.06     0.10  -0.05  -0.01
     4   6     0.05   0.15   0.03    -0.09   0.09   0.05    -0.05   0.03   0.04
     5   8    -0.07  -0.08   0.02     0.09  -0.00   0.02     0.02  -0.00  -0.00
     6   6     0.04   0.04   0.04    -0.11  -0.03  -0.02     0.01   0.07  -0.01
     7   8    -0.02   0.04   0.01     0.00   0.03   0.02     0.02  -0.11  -0.08
     8   1    -0.40  -0.21   0.08     0.03   0.00   0.04    -0.12   0.29   0.01
     9   8    -0.07   0.03  -0.02     0.03  -0.01   0.01    -0.03  -0.01  -0.01
    10   1     0.08  -0.08  -0.10    -0.10   0.03   0.00     0.16  -0.35  -0.01
    11   1     0.10   0.12  -0.10    -0.18  -0.06  -0.05     0.26  -0.13  -0.04
    12   8    -0.03  -0.07   0.04     0.05   0.05  -0.04    -0.00  -0.01  -0.01
    13   6    -0.02  -0.05  -0.10     0.06  -0.09   0.05     0.03  -0.02   0.05
    14   1    -0.17   0.28   0.07    -0.31   0.30   0.09    -0.18   0.10   0.06
    15   8    -0.01  -0.02   0.02     0.02   0.02  -0.01    -0.03  -0.03   0.03
    16   1    -0.02  -0.03   0.04    -0.05  -0.08  -0.03    -0.00   0.11  -0.00
    17   1    -0.02   0.08   0.04    -0.01  -0.25  -0.16     0.03   0.14   0.09
    18   1     0.25  -0.12   0.12     0.13  -0.06   0.03    -0.38   0.16  -0.14
    19   1    -0.15  -0.18   0.15    -0.15  -0.11   0.14    -0.26  -0.22   0.20
    20   8    -0.00   0.00   0.06    -0.02   0.02  -0.07    -0.01   0.01  -0.05
    21   1    -0.06   0.07   0.18     0.13  -0.01   0.47     0.11  -0.03   0.20
    22   1     0.11   0.13  -0.27     0.17   0.10  -0.19     0.03   0.03  -0.03
    23   1     0.17   0.18  -0.18     0.01   0.02  -0.01     0.08   0.08  -0.09
    24   1     0.07   0.01   0.25     0.14   0.06   0.36     0.05   0.03   0.13
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1121.0793              1127.6325              1154.2106
 Red. masses --      3.4691                 4.2808                 3.6035
 Frc consts  --      2.5688                 3.2071                 2.8284
 IR Inten    --     49.8520                42.6963                33.6949
 RamAct Fr= 1--      6.8122                 5.3970                 2.6322
  Dep-P Fr= 1--      0.7440                 0.3854                 0.3711
  Dep-U Fr= 1--      0.8532                 0.5564                 0.5413
 Alpha2 Fr= 1--      0.0007                 0.0421                 0.0216
 Beta2  Fr= 1--      0.9687                 0.5005                 0.2375
 AlphaG Fr= 1--     -0.0042                 0.0043                 0.0092
 Gamma2 Fr= 1--      0.0125                -1.7091                 1.5236
 Delta2 Fr= 1--     -0.4321                -1.2920                 1.0503
 Raman1 Fr= 1--      27.249                 21.588                 10.529
 ROA1   Fr= 1--     -12.627               -205.414                179.874
 CID1   Fr= 1--      -0.463                 -9.515                 17.084
 Raman2 Fr= 1--      11.624                  6.005                  2.849
 ROA2   Fr= 1--       3.757                -30.681                 28.164
 CID2   Fr= 1--       0.323                 -5.109                  9.884
 Raman3 Fr= 1--      23.248                 12.011                  5.699
 ROA3   Fr= 1--     -12.627               -205.414                179.874
 CID3   Fr= 1--      -0.543                -17.102                 31.563
 RC180  Fr= 1--       0.706                  0.113                  0.083
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.10   0.00    -0.02   0.01   0.02     0.05  -0.13  -0.12
     2   6     0.25   0.00  -0.03    -0.21   0.05  -0.03    -0.06   0.01   0.01
     3   6     0.03   0.00   0.07     0.20   0.22  -0.14     0.06   0.05   0.02
     4   6    -0.12  -0.10  -0.01    -0.12  -0.02   0.05    -0.09  -0.06  -0.04
     5   8     0.08   0.08  -0.02     0.04   0.01  -0.04     0.07  -0.00  -0.01
     6   6    -0.12  -0.09   0.06    -0.05  -0.12   0.03     0.08   0.26  -0.13
     7   8    -0.02   0.02   0.01    -0.01  -0.03  -0.03    -0.02   0.06   0.06
     8   1    -0.18  -0.28   0.01    -0.04   0.04   0.01    -0.00  -0.25  -0.13
     9   8    -0.13   0.04  -0.05     0.13  -0.02   0.04     0.02  -0.00   0.00
    10   1     0.34   0.12  -0.03    -0.31   0.26   0.02    -0.04  -0.33  -0.04
    11   1     0.10   0.02   0.05     0.40   0.27  -0.16    -0.11   0.19   0.06
    12   8     0.01   0.02  -0.01    -0.08  -0.13   0.10    -0.01  -0.02   0.01
    13   6     0.05   0.02   0.14     0.05  -0.01   0.09     0.02   0.03   0.10
    14   1    -0.14  -0.10  -0.01    -0.20  -0.17   0.04    -0.45  -0.14  -0.01
    15   8     0.02   0.06  -0.03     0.04   0.07  -0.05    -0.08  -0.15   0.11
    16   1    -0.15  -0.16   0.06     0.06  -0.20   0.00     0.14   0.37  -0.12
    17   1    -0.01   0.37   0.25     0.00   0.18   0.16    -0.03   0.03   0.02
    18   1     0.19  -0.13   0.07     0.04   0.02  -0.01     0.03   0.00   0.04
    19   1    -0.01  -0.01   0.03    -0.06  -0.11   0.05     0.01  -0.00   0.01
    20   8     0.00   0.00  -0.09    -0.00   0.01  -0.06     0.00  -0.01  -0.07
    21   1     0.13  -0.09  -0.01     0.13  -0.06   0.10     0.21  -0.10   0.11
    22   1    -0.01  -0.11   0.29     0.07  -0.04   0.13    -0.02  -0.07   0.22
    23   1     0.13   0.14  -0.10    -0.13  -0.12   0.15     0.07   0.03  -0.10
    24   1    -0.04   0.02  -0.15     0.01   0.00  -0.06     0.03   0.02   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1206.0550              1240.4314              1245.9996
 Red. masses --      1.2567                 1.2165                 1.1459
 Frc consts  --      1.0770                 1.1028                 1.0481
 IR Inten    --      5.9616                47.7260                28.3942
 RamAct Fr= 1--      1.3489                 1.7679                 2.7066
  Dep-P Fr= 1--      0.1516                 0.6445                 0.7297
  Dep-U Fr= 1--      0.2633                 0.7839                 0.8438
 Alpha2 Fr= 1--      0.0208                 0.0034                 0.0009
 Beta2  Fr= 1--      0.0592                 0.2310                 0.3806
 AlphaG Fr= 1--     -0.0031                -0.0127                 0.0049
 Gamma2 Fr= 1--     -0.1770                 0.7231                 0.4243
 Delta2 Fr= 1--     -0.1890                -0.0701                 0.2844
 Raman1 Fr= 1--       5.396                  7.071                 10.826
 ROA1   Fr= 1--     -23.044                 67.177                 49.831
 CID1   Fr= 1--      -4.271                  9.500                  4.603
 Raman2 Fr= 1--       0.710                  2.772                  4.567
 ROA2   Fr= 1--      -2.736                 17.916                  7.907
 CID2   Fr= 1--      -3.852                  6.464                  1.731
 Raman3 Fr= 1--       1.421                  5.543                  9.135
 ROA3   Fr= 1--     -23.044                 67.177                 49.831
 CID3   Fr= 1--     -16.218                 12.119                  5.455
 RC180  Fr= 1--      -0.473                  0.568                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.03    -0.02  -0.04   0.07     0.01   0.02   0.01
     2   6     0.03  -0.04  -0.02     0.01  -0.01  -0.03     0.02  -0.05  -0.04
     3   6    -0.05   0.02  -0.04    -0.01   0.00  -0.03    -0.02  -0.00  -0.01
     4   6    -0.02   0.01   0.06    -0.00   0.03  -0.02     0.01   0.01  -0.03
     5   8     0.02   0.01  -0.01     0.01  -0.02   0.02     0.01  -0.01   0.02
     6   6     0.00   0.03  -0.03    -0.01   0.03  -0.04    -0.02   0.01   0.03
     7   8    -0.01   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.01  -0.01
     8   1     0.45   0.05  -0.04    -0.04   0.17   0.10     0.18   0.08  -0.02
     9   8    -0.01  -0.00  -0.00     0.00  -0.02   0.01    -0.01   0.03  -0.00
    10   1     0.22   0.32   0.00     0.31   0.44  -0.02    -0.26  -0.17  -0.02
    11   1     0.27  -0.18  -0.12     0.01   0.21  -0.02    -0.11   0.19   0.02
    12   8    -0.00  -0.00   0.01     0.01  -0.01   0.01     0.02  -0.01  -0.01
    13   6     0.02  -0.01  -0.05    -0.01  -0.03   0.04    -0.01  -0.01   0.01
    14   1     0.04  -0.30   0.03    -0.06   0.28   0.00     0.02   0.11  -0.02
    15   8    -0.00  -0.02   0.01    -0.00  -0.02   0.01     0.02  -0.01  -0.02
    16   1    -0.12   0.29   0.01     0.01   0.19  -0.03    -0.16   0.48   0.08
    17   1    -0.00   0.22   0.16     0.00  -0.18  -0.12    -0.00   0.21   0.15
    18   1    -0.15   0.06  -0.06    -0.32   0.13  -0.13     0.34  -0.14   0.14
    19   1     0.09   0.08  -0.09    -0.07  -0.07   0.07    -0.17  -0.15   0.15
    20   8    -0.01   0.01   0.01     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.12  -0.02   0.16    -0.23   0.06  -0.19    -0.09   0.02  -0.07
    22   1    -0.10   0.08  -0.24     0.20  -0.09   0.25     0.07  -0.03   0.08
    23   1    -0.09  -0.10   0.10    -0.03  -0.04   0.03    -0.23  -0.27   0.26
    24   1     0.06   0.02   0.20    -0.09  -0.02  -0.27    -0.03  -0.01  -0.09
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1251.0780              1259.0050              1326.4334
 Red. masses --      1.2673                 1.2026                 1.1970
 Frc consts  --      1.1687                 1.1231                 1.2408
 IR Inten    --     31.7783                15.0240                22.1333
 RamAct Fr= 1--      2.7062                 5.0849                 2.1729
  Dep-P Fr= 1--      0.7382                 0.7470                 0.3500
  Dep-U Fr= 1--      0.8494                 0.8552                 0.5185
 Alpha2 Fr= 1--      0.0005                 0.0003                 0.0191
 Beta2  Fr= 1--      0.3831                 0.7248                 0.1878
 AlphaG Fr= 1--      0.0010                -0.0035                -0.0264
 Gamma2 Fr= 1--      0.0529                -0.2530                -0.4426
 Delta2 Fr= 1--      0.7034                -0.5452                 0.0516
 Raman1 Fr= 1--      10.825                 20.340                  8.692
 ROA1   Fr= 1--      27.588                -41.730                -40.836
 CID1   Fr= 1--       2.549                 -2.052                 -4.698
 Raman2 Fr= 1--       4.597                  8.697                  2.253
 ROA2   Fr= 1--      -4.357                 -1.710                -11.035
 CID2   Fr= 1--      -0.948                 -0.197                 -4.897
 Raman3 Fr= 1--       9.194                 17.394                  4.507
 ROA3   Fr= 1--      27.588                -41.730                -40.836
 CID3   Fr= 1--       3.001                 -2.399                 -9.061
 RC180  Fr= 1--       0.699                  0.710                  0.037
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.03     0.00  -0.01   0.04     0.03   0.00   0.00
     2   6    -0.01   0.03   0.07    -0.00   0.02   0.02    -0.00   0.03  -0.02
     3   6    -0.05   0.01  -0.05    -0.02   0.01  -0.00     0.00  -0.00  -0.02
     4   6    -0.03   0.06   0.01     0.04  -0.06  -0.06    -0.06  -0.06  -0.01
     5   8    -0.00  -0.02   0.01    -0.02   0.01   0.00    -0.01  -0.01   0.00
     6   6     0.01   0.00  -0.02     0.01  -0.02  -0.01    -0.05   0.02   0.05
     7   8    -0.02  -0.01   0.01    -0.01  -0.01  -0.01    -0.01  -0.00   0.00
     8   1     0.52  -0.14  -0.14     0.26   0.03   0.00    -0.07  -0.14  -0.00
     9   8    -0.00   0.00  -0.01    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    10   1     0.02  -0.21   0.04     0.11   0.07   0.02     0.22  -0.14  -0.06
    11   1     0.12  -0.05  -0.09    -0.22   0.63   0.07     0.05   0.02  -0.03
    12   8     0.01  -0.01   0.00     0.03  -0.01  -0.00    -0.01   0.00   0.01
    13   6     0.02  -0.05   0.02    -0.02   0.05  -0.03     0.02   0.01  -0.01
    14   1     0.14   0.14  -0.00     0.04  -0.03  -0.06     0.38   0.50  -0.02
    15   8    -0.01   0.00   0.01    -0.01   0.01   0.00     0.02  -0.01  -0.01
    16   1     0.14  -0.28  -0.06     0.02  -0.20  -0.02     0.55   0.12  -0.02
    17   1    -0.01   0.29   0.21    -0.00   0.11   0.08    -0.00   0.08   0.06
    18   1     0.02  -0.01   0.02    -0.13   0.05  -0.05    -0.09   0.04  -0.03
    19   1    -0.08  -0.07   0.06    -0.26  -0.24   0.24     0.09   0.08  -0.08
    20   8     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.00   0.01   0.01
    21   1    -0.25   0.09  -0.16     0.21  -0.08   0.11     0.13  -0.04   0.08
    22   1     0.18  -0.04   0.09    -0.14   0.04  -0.08    -0.11   0.04  -0.15
    23   1     0.16   0.18  -0.17     0.07   0.09  -0.08    -0.14  -0.16   0.14
    24   1    -0.10  -0.02  -0.28     0.09   0.00   0.23     0.01   0.00   0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1332.9666              1346.3991              1353.3473
 Red. masses --      1.3562                 1.2940                 1.2787
 Frc consts  --      1.4198                 1.3821                 1.3799
 IR Inten    --     38.2173                30.8310                51.4767
 RamAct Fr= 1--      3.6906                 2.6707                 1.4048
  Dep-P Fr= 1--      0.6831                 0.6963                 0.6601
  Dep-U Fr= 1--      0.8117                 0.8210                 0.7952
 Alpha2 Fr= 1--      0.0043                 0.0025                 0.0023
 Beta2  Fr= 1--      0.4993                 0.3654                 0.1862
 AlphaG Fr= 1--      0.0051                 0.0057                 0.0029
 Gamma2 Fr= 1--      1.3762                -0.0535                -0.5341
 Delta2 Fr= 1--     -0.4723                -0.7198                 0.3442
 Raman1 Fr= 1--      14.762                 10.683                  5.619
 ROA1   Fr= 1--     116.998                -28.170                -40.262
 CID1   Fr= 1--       7.925                 -2.637                 -7.165
 Raman2 Fr= 1--       5.991                  4.385                  2.234
 ROA2   Fr= 1--      36.807                  4.475                -15.573
 CID2   Fr= 1--       6.143                  1.020                 -6.970
 Raman3 Fr= 1--      11.983                  8.770                  4.469
 ROA3   Fr= 1--     116.998                -28.170                -40.262
 CID3   Fr= 1--       9.764                 -3.212                 -9.010
 RC180  Fr= 1--       0.623                  0.642                  0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.03    -0.04  -0.02  -0.01    -0.09  -0.02  -0.05
     2   6     0.00  -0.01  -0.02    -0.04   0.10   0.00    -0.01  -0.05   0.05
     3   6    -0.02   0.05   0.08    -0.01  -0.01   0.01    -0.04   0.00   0.00
     4   6    -0.09   0.05  -0.03     0.03   0.04   0.00    -0.01  -0.04   0.01
     5   8     0.01  -0.01   0.00     0.00  -0.00  -0.02     0.00   0.01   0.00
     6   6    -0.01   0.01  -0.01    -0.01   0.01   0.07     0.00  -0.01  -0.01
     7   8     0.02   0.01   0.02     0.01   0.01   0.01     0.03   0.02   0.01
     8   1    -0.20  -0.15  -0.01     0.09  -0.04  -0.03     0.14   0.38  -0.03
     9   8     0.00   0.00   0.00     0.00  -0.01  -0.02    -0.01   0.04  -0.02
    10   1    -0.07   0.09   0.00     0.55  -0.52  -0.14     0.07  -0.06   0.04
    11   1     0.18   0.06   0.04     0.08   0.11  -0.00     0.54   0.21  -0.11
    12   8     0.03  -0.01  -0.03     0.01  -0.00   0.00     0.00  -0.00   0.02
    13   6     0.04  -0.05   0.00    -0.01  -0.02   0.01    -0.00   0.03  -0.02
    14   1     0.49  -0.38  -0.12    -0.18  -0.31  -0.00     0.09   0.19   0.01
    15   8    -0.00  -0.00   0.01     0.02  -0.00  -0.04    -0.01   0.00   0.01
    16   1     0.06   0.10  -0.02    -0.11  -0.07   0.08     0.05   0.00  -0.01
    17   1     0.01  -0.22  -0.14     0.00  -0.17  -0.12     0.01  -0.33  -0.22
    18   1     0.01  -0.01   0.00    -0.08   0.03  -0.03     0.38  -0.15   0.14
    19   1    -0.29  -0.26   0.25    -0.02  -0.02   0.02     0.02   0.02  -0.02
    20   8     0.01   0.02   0.02     0.01   0.00   0.00    -0.01  -0.01  -0.01
    21   1    -0.03   0.02   0.07    -0.06   0.02   0.01     0.07  -0.03  -0.02
    22   1    -0.08   0.08  -0.27     0.02   0.00   0.00     0.05  -0.04   0.10
    23   1     0.02   0.02  -0.02    -0.20  -0.23   0.21     0.07   0.08  -0.07
    24   1    -0.08  -0.01  -0.22    -0.02  -0.00  -0.07     0.05   0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1365.3787              1383.6440              1393.5615
 Red. masses --      1.2035                 1.2568                 1.3646
 Frc consts  --      1.3220                 1.4176                 1.5613
 IR Inten    --      2.8207                14.8089                 5.8365
 RamAct Fr= 1--      0.4650                 1.7540                 4.1766
  Dep-P Fr= 1--      0.6872                 0.6929                 0.5738
  Dep-U Fr= 1--      0.8146                 0.8186                 0.7292
 Alpha2 Fr= 1--      0.0005                 0.0018                 0.0139
 Beta2  Fr= 1--      0.0631                 0.2393                 0.5076
 AlphaG Fr= 1--      0.0003                -0.0102                -0.0134
 Gamma2 Fr= 1--     -0.4173                 0.4551                 0.5809
 Delta2 Fr= 1--     -0.3581                 0.9949                 0.0697
 Raman1 Fr= 1--       1.860                  7.016                 16.706
 ROA1   Fr= 1--     -51.517                 75.528                 57.997
 CID1   Fr= 1--     -27.696                 10.765                  3.472
 Raman2 Fr= 1--       0.758                  2.872                  6.091
 ROA2   Fr= 1--      -7.150                  2.964                 13.384
 CID2   Fr= 1--      -9.438                  1.032                  2.197
 Raman3 Fr= 1--       1.515                  5.743                 12.182
 ROA3   Fr= 1--     -51.517                 75.528                 57.997
 CID3   Fr= 1--     -34.000                 13.151                  4.761
 RC180  Fr= 1--       0.629                  0.637                  0.458
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04   0.02     0.02   0.01   0.01    -0.01   0.06  -0.01
     2   6    -0.02  -0.04   0.05    -0.01  -0.02   0.00     0.03  -0.04  -0.01
     3   6     0.06  -0.00   0.00    -0.03   0.05   0.02    -0.05  -0.04   0.00
     4   6     0.00   0.03  -0.01     0.02   0.04   0.03     0.11   0.01  -0.01
     5   8    -0.01  -0.00  -0.02    -0.01  -0.00  -0.02    -0.01   0.01  -0.03
     6   6    -0.03  -0.00   0.00    -0.05   0.00   0.02    -0.07  -0.00   0.01
     7   8    -0.01  -0.00  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
     8   1     0.02   0.56   0.11    -0.05  -0.07   0.01     0.02  -0.36  -0.08
     9   8    -0.01   0.02  -0.02    -0.00   0.00  -0.01     0.00  -0.00   0.01
    10   1     0.21   0.05   0.04     0.11   0.07  -0.00    -0.18   0.15   0.03
    11   1    -0.38  -0.08   0.09    -0.06  -0.27   0.02     0.31   0.24  -0.07
    12   8    -0.01   0.00  -0.01     0.02  -0.01  -0.03     0.00  -0.00   0.01
    13   6     0.00  -0.03   0.02    -0.04   0.05  -0.06    -0.02  -0.02   0.03
    14   1    -0.10  -0.23  -0.02     0.08  -0.23   0.00    -0.47  -0.18   0.04
    15   8    -0.00   0.00   0.01     0.01  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.43   0.01  -0.06     0.40   0.03  -0.05     0.53   0.08  -0.07
    17   1    -0.00   0.07   0.05    -0.00   0.01   0.02     0.00  -0.05  -0.03
    18   1     0.24  -0.10   0.09     0.05  -0.02   0.02     0.01  -0.01   0.00
    19   1     0.03   0.02  -0.02    -0.18  -0.16   0.15     0.02   0.02  -0.02
    20   8     0.01   0.02   0.01    -0.02  -0.03  -0.02     0.01   0.01   0.00
    21   1    -0.04   0.02   0.08     0.10  -0.05  -0.09    -0.10   0.04   0.03
    22   1    -0.12   0.07  -0.19     0.41  -0.14   0.47    -0.14   0.04  -0.11
    23   1     0.04   0.05  -0.05    -0.03  -0.02   0.02    -0.01  -0.00   0.00
    24   1    -0.06  -0.01  -0.21     0.11   0.01   0.34    -0.03  -0.01  -0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1422.0455              1428.6032              1441.0602
 Red. masses --      1.5130                 1.4409                 1.4062
 Frc consts  --      1.8027                 1.7326                 1.7206
 IR Inten    --     24.0902                19.8737                 2.0020
 RamAct Fr= 1--      4.0312                 4.1251                 1.7241
  Dep-P Fr= 1--      0.7250                 0.4806                 0.5830
  Dep-U Fr= 1--      0.8406                 0.6492                 0.7365
 Alpha2 Fr= 1--      0.0017                 0.0222                 0.0054
 Beta2  Fr= 1--      0.5648                 0.4464                 0.2116
 AlphaG Fr= 1--     -0.0010                 0.0191                -0.0028
 Gamma2 Fr= 1--      0.1621                -0.4334                -0.1488
 Delta2 Fr= 1--     -0.1814                 0.5494                -0.2435
 Raman1 Fr= 1--      16.125                 16.500                  6.896
 ROA1   Fr= 1--       9.757                -24.023                -22.079
 CID1   Fr= 1--       0.605                 -1.456                 -3.202
 Raman2 Fr= 1--       6.777                  5.356                  2.540
 ROA2   Fr= 1--       5.341                -14.797                 -1.624
 CID2   Fr= 1--       0.788                 -2.763                 -0.639
 Raman3 Fr= 1--      13.554                 10.712                  5.080
 ROA3   Fr= 1--       9.757                -24.023                -22.079
 CID3   Fr= 1--       0.720                 -2.243                 -4.347
 RC180  Fr= 1--       0.681                  0.298                  0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12   0.02  -0.01     0.08   0.02  -0.00     0.08  -0.08  -0.03
     2   6    -0.09  -0.06   0.01    -0.05  -0.05   0.01     0.06   0.07   0.00
     3   6    -0.07   0.04   0.02    -0.06   0.02   0.01    -0.07  -0.03   0.02
     4   6     0.03  -0.02  -0.02     0.05  -0.04   0.01     0.00   0.03   0.00
     5   8     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.02   0.03   0.00     0.03   0.03   0.00    -0.01   0.01   0.01
     7   8    -0.02  -0.01  -0.01    -0.01  -0.01  -0.01    -0.02  -0.01  -0.02
     8   1    -0.34  -0.01   0.07    -0.20  -0.03   0.04    -0.32   0.54   0.14
     9   8    -0.00   0.02  -0.02    -0.00   0.01  -0.01     0.00  -0.03   0.02
    10   1     0.40   0.12  -0.02     0.23   0.11  -0.00    -0.36  -0.19   0.01
    11   1     0.20  -0.07  -0.04     0.17  -0.08  -0.04     0.34   0.20  -0.06
    12   8     0.01  -0.01  -0.01     0.01  -0.00  -0.00     0.01   0.00   0.01
    13   6     0.08   0.00   0.05    -0.11  -0.02  -0.03    -0.00  -0.00  -0.01
    14   1    -0.15   0.09   0.01    -0.06   0.11   0.04     0.01  -0.13  -0.01
    15   8     0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.00  -0.01  -0.01
    16   1    -0.13  -0.12   0.01    -0.18  -0.16   0.02     0.08  -0.08  -0.01
    17   1    -0.01   0.20   0.14    -0.00   0.13   0.09    -0.01   0.24   0.16
    18   1     0.17  -0.07   0.07     0.12  -0.05   0.05    -0.26   0.11  -0.09
    19   1    -0.10  -0.09   0.09    -0.05  -0.05   0.05     0.03   0.03  -0.02
    20   8    -0.03  -0.02  -0.00     0.04   0.03   0.01    -0.00  -0.00  -0.00
    21   1    -0.29   0.15  -0.36     0.34  -0.19   0.50    -0.01   0.01   0.00
    22   1    -0.27   0.02  -0.17     0.20   0.02   0.07     0.07  -0.02   0.07
    23   1    -0.01  -0.01   0.01    -0.01  -0.02   0.02    -0.05  -0.06   0.04
    24   1     0.09  -0.00   0.28    -0.15   0.00  -0.47     0.01  -0.00   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1446.8126              1462.0526              1498.4877
 Red. masses --      1.6632                 1.6558                 1.0825
 Frc consts  --      2.0513                 2.0854                 1.4321
 IR Inten    --     21.3822                 5.8911                 5.2900
 RamAct Fr= 1--      1.9537                 3.9333                 6.3231
  Dep-P Fr= 1--      0.6900                 0.6668                 0.6656
  Dep-U Fr= 1--      0.8165                 0.8001                 0.7992
 Alpha2 Fr= 1--      0.0021                 0.0058                 0.0095
 Beta2  Fr= 1--      0.2659                 0.5245                 0.8422
 AlphaG Fr= 1--      0.0141                -0.0171                 0.0124
 Gamma2 Fr= 1--      0.1056                -0.0205                -0.2272
 Delta2 Fr= 1--     -0.5587                 0.5703                -0.4031
 Raman1 Fr= 1--       7.815                 15.733                 25.293
 ROA1   Fr= 1--      -7.742                 16.280                -34.711
 CID1   Fr= 1--      -0.991                  1.035                 -1.372
 Raman2 Fr= 1--       3.191                  6.294                 10.107
 ROA2   Fr= 1--       7.004                 -5.055                 -2.228
 CID2   Fr= 1--       2.195                 -0.803                 -0.220
 Raman3 Fr= 1--       6.381                 12.588                 20.214
 ROA3   Fr= 1--      -7.742                 16.280                -34.711
 CID3   Fr= 1--      -1.213                  1.293                 -1.717
 RC180  Fr= 1--       0.633                  0.600                  0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.06   0.00     0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.05  -0.05   0.00    -0.05   0.09   0.00     0.00   0.00  -0.00
     3   6     0.04  -0.16  -0.02    -0.02   0.02   0.01    -0.00   0.01   0.00
     4   6    -0.08   0.09   0.01     0.03  -0.02   0.00     0.01  -0.01  -0.00
     5   8     0.01  -0.01   0.00    -0.01   0.03  -0.00    -0.00  -0.00   0.00
     6   6     0.02  -0.01  -0.01     0.03  -0.19  -0.03     0.00   0.00   0.00
     7   8    -0.02  -0.01  -0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
     8   1    -0.17  -0.18   0.01    -0.10  -0.01   0.02     0.01   0.00  -0.00
     9   8    -0.00   0.01  -0.01     0.01  -0.01   0.00    -0.00  -0.00   0.00
    10   1     0.23   0.10  -0.01     0.18  -0.23  -0.06    -0.00  -0.00  -0.00
    11   1    -0.00   0.56   0.01     0.06  -0.06  -0.02    -0.01  -0.03   0.00
    12   8    -0.03   0.02   0.03     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.01  -0.00  -0.03    -0.01   0.00  -0.00     0.05   0.00  -0.06
    14   1     0.26  -0.30  -0.05    -0.07   0.04   0.02     0.03   0.02  -0.01
    15   8    -0.01   0.00   0.01    -0.02   0.02   0.05     0.00  -0.00  -0.00
    16   1    -0.05   0.09   0.00     0.02   0.77   0.02     0.00  -0.00   0.00
    17   1    -0.01   0.15   0.09    -0.00   0.06   0.04     0.00  -0.01  -0.00
    18   1     0.14  -0.05   0.05    -0.05   0.02  -0.03    -0.00   0.00  -0.00
    19   1     0.27   0.25  -0.23    -0.03  -0.03   0.03    -0.02  -0.02   0.01
    20   8    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.01
    21   1     0.00   0.02   0.02     0.04  -0.02   0.04    -0.27   0.41   0.53
    22   1     0.18  -0.08   0.19    -0.01   0.01  -0.01    -0.42  -0.42   0.35
    23   1     0.05   0.06  -0.05     0.25   0.30  -0.26    -0.00  -0.00   0.00
    24   1     0.02  -0.00   0.06    -0.01   0.00  -0.04     0.00   0.00  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2950.5863              2980.0899              2985.5961
 Red. masses --      1.0826                 1.0814                 1.0798
 Frc consts  --      5.5529                 5.6584                 5.6707
 IR Inten    --     33.2767                 5.7454                27.9298
 RamAct Fr= 1--     57.9096                22.0339               165.8397
  Dep-P Fr= 1--      0.1708                 0.0681                 0.2789
  Dep-U Fr= 1--      0.2918                 0.1275                 0.4361
 Alpha2 Fr= 1--      0.8488                 0.4168                 1.8101
 Beta2  Fr= 1--      2.8160                 0.4684                12.0550
 AlphaG Fr= 1--     -0.8026                -0.3075                 0.2245
 Gamma2 Fr= 1--     -5.6819                -1.2365                16.5531
 Delta2 Fr= 1--     -0.6089                -1.5590                14.7124
 Raman1 Fr= 1--     231.639                 88.136                663.359
 ROA1   Fr= 1--    -564.950               -168.588               2059.896
 CID1   Fr= 1--      -2.439                 -1.913                  3.105
 Raman2 Fr= 1--      33.791                  5.620                144.660
 ROA2   Fr= 1--    -131.495                -17.203                279.575
 CID2   Fr= 1--      -3.891                 -3.061                  1.933
 Raman3 Fr= 1--      67.583                 11.241                289.320
 ROA3   Fr= 1--    -564.950               -168.588               2059.896
 CID3   Fr= 1--      -8.359                -14.998                  7.120
 RC180  Fr= 1--      -0.416                 -0.745                 -0.128
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.01   0.01  -0.06    -0.01   0.01  -0.05
     2   6    -0.00  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.02
     4   6     0.00   0.00   0.00     0.01  -0.00   0.05    -0.01   0.00  -0.06
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.01   0.00  -0.08     0.00  -0.00  -0.01    -0.00   0.00  -0.01
     7   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   1    -0.03   0.02  -0.14     0.14  -0.11   0.73     0.11  -0.09   0.57
     9   8     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   1    -0.01   0.01  -0.09    -0.02   0.02  -0.14    -0.02   0.02  -0.13
    11   1     0.00   0.00   0.02    -0.00  -0.00  -0.02    -0.04   0.01  -0.21
    12   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.01
    14   1    -0.01  -0.00  -0.05    -0.06   0.05  -0.60     0.07  -0.06   0.69
    15   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.14  -0.06   0.97     0.00  -0.00   0.06     0.02  -0.01   0.12
    17   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    21   1    -0.00  -0.00  -0.00    -0.02  -0.04   0.01     0.03   0.06  -0.02
    22   1    -0.00   0.01   0.00    -0.05   0.15   0.09     0.08  -0.23  -0.15
    23   1     0.01   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3005.4227              3018.0293              3032.1531
 Red. masses --      1.0737                 1.0838                 1.0849
 Frc consts  --      5.7139                 5.8165                 5.8768
 IR Inten    --     75.5388                11.5714                63.4932
 RamAct Fr= 1--    206.6233                10.9702                40.1567
  Dep-P Fr= 1--      0.0964                 0.2570                 0.1605
  Dep-U Fr= 1--      0.1758                 0.4089                 0.2766
 Alpha2 Fr= 1--      3.6496                 0.1275                 0.6044
 Beta2  Fr= 1--      6.0558                 0.7476                 1.8511
 AlphaG Fr= 1--      0.4725                 0.1437                -0.0320
 Gamma2 Fr= 1--     -8.4662                -1.1462                 0.9161
 Delta2 Fr= 1--    -10.7182                -1.7228                -0.1513
 Raman1 Fr= 1--     826.493                 43.881                160.627
 ROA1   Fr= 1--   -1155.740               -165.162                 83.105
 CID1   Fr= 1--      -1.398                 -3.764                  0.517
 Raman2 Fr= 1--      72.669                  8.971                 22.213
 ROA2   Fr= 1--    -117.444                -13.725                 23.198
 CID2   Fr= 1--      -1.616                 -1.530                  1.044
 Raman3 Fr= 1--     145.338                 17.942                 44.426
 ROA3   Fr= 1--   -1155.740               -165.162                 83.105
 CID3   Fr= 1--      -7.952                 -9.205                  1.871
 RC180  Fr= 1--      -0.648                 -0.182                 -0.447
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.02
     2   6    -0.00  -0.00   0.00    -0.01   0.01  -0.07    -0.00   0.00  -0.04
     3   6     0.00   0.00   0.01     0.01  -0.00   0.04    -0.02   0.00  -0.07
     4   6    -0.00  -0.00  -0.03     0.00  -0.00   0.01    -0.00   0.00  -0.01
     5   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.00   0.00  -0.01
     7   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1     0.01  -0.01   0.03     0.01  -0.02   0.08     0.04  -0.03   0.21
     9   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   1    -0.00   0.00  -0.02     0.10  -0.11   0.86     0.05  -0.06   0.42
    11   1    -0.02   0.01  -0.09    -0.09   0.02  -0.44     0.18  -0.03   0.84
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.03  -0.05  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    14   1     0.04  -0.03   0.33    -0.01   0.00  -0.07     0.01  -0.01   0.16
    15   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.02     0.01  -0.00   0.09     0.01  -0.00   0.06
    17   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    20   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.09  -0.15   0.04     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1    -0.26   0.74   0.48     0.00  -0.01  -0.00    -0.01   0.02   0.01
    23   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3116.0083              3778.8962              3787.5715
 Red. masses --      1.0926                 1.0655                 1.0659
 Frc consts  --      6.2506                 8.9645                 9.0095
 IR Inten    --      9.6591                31.6783                44.1527
 RamAct Fr= 1--     72.2467                36.7716                50.5995
  Dep-P Fr= 1--      0.3372                 0.1112                 0.2342
  Dep-U Fr= 1--      0.5043                 0.2001                 0.3795
 Alpha2 Fr= 1--      0.6608                 0.6264                 0.6265
 Beta2  Fr= 1--      6.0726                 1.2262                 3.2008
 AlphaG Fr= 1--     -0.0321                -0.0798                -0.2183
 Gamma2 Fr= 1--      1.8720                -1.1884                -5.5884
 Delta2 Fr= 1--      0.3870                 0.2455                -0.4243
 Raman1 Fr= 1--     288.987                147.086                202.398
 ROA1   Fr= 1--     192.096               -106.234               -550.066
 CID1   Fr= 1--       0.665                 -0.722                 -2.718
 Raman2 Fr= 1--      72.872                 14.714                 38.409
 ROA2   Fr= 1--      41.831                -30.486               -130.728
 CID2   Fr= 1--       0.574                 -2.072                 -3.404
 Raman3 Fr= 1--     145.743                 29.428                 76.818
 ROA3   Fr= 1--     192.096               -106.234               -550.066
 CID3   Fr= 1--       1.318                 -3.610                 -7.161
 RC180  Fr= 1--       0.009                 -0.600                 -0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   1     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.05  -0.02
    13   6    -0.04  -0.08   0.01    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    15   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.17  -0.02   0.01
    18   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    19   1     0.00   0.00   0.00    -0.01   0.02   0.01    -0.37   0.84   0.35
    20   8     0.00   0.00   0.00    -0.04  -0.04   0.02     0.00   0.00  -0.00
    21   1     0.57   0.77  -0.24     0.01   0.01  -0.00    -0.00  -0.00   0.00
    22   1    -0.06   0.13   0.09    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    24   1    -0.01  -0.01  -0.00     0.63   0.71  -0.30    -0.01  -0.02   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3789.3946              3794.9103              3797.2167
 Red. masses --      1.0659                 1.0660                 1.0660
 Frc consts  --      9.0177                 9.0447                 9.0556
 IR Inten    --     59.1007                42.0883                62.4870
 RamAct Fr= 1--     83.2195                55.4994               127.2006
  Dep-P Fr= 1--      0.1630                 0.3298                 0.1507
  Dep-U Fr= 1--      0.2803                 0.4960                 0.2619
 Alpha2 Fr= 1--      1.2446                 0.5197                 1.9629
 Beta2  Fr= 1--      3.8872                 4.5878                 5.5526
 AlphaG Fr= 1--      0.2865                -0.2484                 0.6443
 Gamma2 Fr= 1--      6.5902               -12.7780                13.3852
 Delta2 Fr= 1--      0.8362                -5.0562                 5.2039
 Raman1 Fr= 1--     332.878                221.998                508.802
 ROA1   Fr= 1--     659.424              -1388.492               1451.505
 CID1   Fr= 1--       1.981                 -6.255                  2.853
 Raman2 Fr= 1--      46.647                 55.053                 66.631
 ROA2   Fr= 1--     151.476               -266.223                279.614
 CID2   Fr= 1--       3.247                 -4.836                  4.196
 Raman3 Fr= 1--      93.294                110.106                133.261
 ROA3   Fr= 1--     659.424              -1388.492               1451.505
 CID3   Fr= 1--       7.068                -12.611                 10.892
 RC180  Fr= 1--      -0.439                 -0.008                 -0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   8    -0.06   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     9   8     0.00   0.00  -0.00    -0.03  -0.05   0.02    -0.01  -0.01   0.01
    10   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   8    -0.00   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   8     0.00  -0.00  -0.00    -0.00   0.01   0.01     0.02  -0.05  -0.03
    16   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1     0.97  -0.09   0.07     0.07  -0.01   0.01     0.01  -0.00   0.00
    18   1    -0.04  -0.06   0.02     0.49   0.76  -0.29     0.15   0.24  -0.09
    19   1     0.07  -0.15  -0.06    -0.00   0.00   0.00     0.00  -0.01  -0.00
    20   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    23   1    -0.00   0.01   0.01     0.08  -0.24  -0.15    -0.26   0.77   0.49
    24   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1539.979562209.021433379.13667
           X            0.99996  -0.00748  -0.00581
           Y            0.00752   0.99995   0.00600
           Z            0.00577  -0.00604   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05624     0.03921     0.02563
 Rotational constants (GHZ):           1.17193     0.81699     0.53408
 Zero-point vibrational energy     516772.4 (Joules/Mol)
                                  123.51156 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    102.16   132.30   170.74   202.28   332.83
          (Kelvin)            347.77   364.26   384.48   410.92   431.66
                              480.43   529.00   548.02   554.41   584.99
                              605.18   614.75   655.61   744.67   817.07
                              853.52   907.17  1034.89  1309.83  1327.23
                             1459.46  1473.01  1495.11  1531.74  1546.74
                             1561.27  1583.52  1600.10  1612.98  1622.41
                             1660.65  1735.24  1784.70  1792.72  1800.02
                             1811.43  1908.44  1917.84  1937.17  1947.16
                             1964.48  1990.76  2005.02  2046.01  2055.44
                             2073.36  2081.64  2103.57  2155.99  4245.24
                             4287.68  4295.61  4324.13  4342.27  4362.59
                             4483.24  5436.99  5449.47  5452.09  5460.03
                             5463.35
 
 Zero-point correction=                           0.196828 (Hartree/Particle)
 Thermal correction to Energy=                    0.209257
 Thermal correction to Enthalpy=                  0.210202
 Thermal correction to Gibbs Free Energy=         0.159173
 Sum of electronic and zero-point Energies=           -687.313648
 Sum of electronic and thermal Energies=              -687.301219
 Sum of electronic and thermal Enthalpies=            -687.300275
 Sum of electronic and thermal Free Energies=         -687.351304
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  131.311             47.599            107.399
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.820
 Vibrational            129.534             41.637             35.108
 Vibration     1          0.598              1.968              4.125
 Vibration     2          0.602              1.955              3.618
 Vibration     3          0.609              1.934              3.122
 Vibration     4          0.615              1.913              2.796
 Vibration     5          0.653              1.793              1.869
 Vibration     6          0.658              1.776              1.790
 Vibration     7          0.664              1.757              1.708
 Vibration     8          0.672              1.733              1.614
 Vibration     9          0.683              1.700              1.500
 Vibration    10          0.693              1.674              1.417
 Vibration    11          0.715              1.608              1.241
 Vibration    12          0.740              1.539              1.089
 Vibration    13          0.751              1.511              1.036
 Vibration    14          0.754              1.501              1.018
 Vibration    15          0.771              1.456              0.939
 Vibration    16          0.783              1.425              0.890
 Vibration    17          0.789              1.411              0.868
 Vibration    18          0.814              1.348              0.779
 Vibration    19          0.873              1.211              0.616
 Vibration    20          0.924              1.101              0.508
 Vibration    21          0.951              1.046              0.461
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610517D-73        -73.214302       -168.582161
 Total V=0       0.209075D+18         17.320303         39.881472
 Vib (Bot)       0.529663D-87        -87.276000       -200.960417
 Vib (Bot)    1  0.290413D+01          0.463017          1.066135
 Vib (Bot)    2  0.223513D+01          0.349303          0.804301
 Vib (Bot)    3  0.172254D+01          0.236169          0.543800
 Vib (Bot)    4  0.144603D+01          0.160176          0.368818
 Vib (Bot)    5  0.850913D+00         -0.070115         -0.161445
 Vib (Bot)    6  0.810569D+00         -0.091210         -0.210019
 Vib (Bot)    7  0.769738D+00         -0.113657         -0.261705
 Vib (Bot)    8  0.724230D+00         -0.140124         -0.322647
 Vib (Bot)    9  0.671164D+00         -0.173171         -0.398741
 Vib (Bot)   10  0.633872D+00         -0.197998         -0.455908
 Vib (Bot)   11  0.558214D+00         -0.253199         -0.583012
 Vib (Bot)   12  0.495954D+00         -0.304559         -0.701272
 Vib (Bot)   13  0.474394D+00         -0.323861         -0.745717
 Vib (Bot)   14  0.467460D+00         -0.330255         -0.760441
 Vib (Bot)   15  0.436244D+00         -0.360270         -0.829553
 Vib (Bot)   16  0.417253D+00         -0.379601         -0.874063
 Vib (Bot)   17  0.408662D+00         -0.388635         -0.894866
 Vib (Bot)   18  0.374603D+00         -0.426429         -0.981890
 Vib (Bot)   19  0.312561D+00         -0.505065         -1.162956
 Vib (Bot)   20  0.271577D+00         -0.566107         -1.303509
 Vib (Bot)   21  0.253457D+00         -0.596095         -1.372560
 Vib (V=0)       0.181387D+04          3.258605          7.503216
 Vib (V=0)    1  0.344686D+01          0.537424          1.237464
 Vib (V=0)    2  0.279038D+01          0.445663          1.026176
 Vib (V=0)    3  0.229364D+01          0.360525          0.830140
 Vib (V=0)    4  0.203003D+01          0.307502          0.708050
 Vib (V=0)    5  0.148694D+01          0.172294          0.396721
 Vib (V=0)    6  0.145238D+01          0.162079          0.373202
 Vib (V=0)    7  0.141788D+01          0.151638          0.349160
 Vib (V=0)    8  0.138006D+01          0.139899          0.322128
 Vib (V=0)    9  0.133694D+01          0.126111          0.290380
 Vib (V=0)   10  0.130734D+01          0.116388          0.267993
 Vib (V=0)   11  0.124940D+01          0.096702          0.222665
 Vib (V=0)   12  0.120425D+01          0.080717          0.185858
 Vib (V=0)   13  0.118924D+01          0.075269          0.173313
 Vib (V=0)   14  0.118448D+01          0.073529          0.169308
 Vib (V=0)   15  0.116356D+01          0.065788          0.151482
 Vib (V=0)   16  0.115123D+01          0.061162          0.140831
 Vib (V=0)   17  0.114576D+01          0.059093          0.136067
 Vib (V=0)   18  0.112476D+01          0.051060          0.117571
 Vib (V=0)   19  0.108966D+01          0.037289          0.085862
 Vib (V=0)   20  0.106899D+01          0.028975          0.066718
 Vib (V=0)   21  0.106057D+01          0.025540          0.058808
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.121368D+07          6.084106         14.009172
 
                                                          ROA calculations.
                                                             IR Spectrum
 
  33333                     3333222                                    11111111111111111111111111111                                 
  77777                     1000999                                    44444433333332222211111000000 99    7655544443333322222 11    
  99887                     1310885                                    96442298654325544052210876321 21    1396152208863086543 4197  
  75989                     6285601                                    82719244536369160648121555944 20    9138867175184067321 1921  
 
  XXXXX                     XXXXXXX                                    XXXXXXXXXXXXXXXXXXXXXXXXXXXXX XX    XXXXXXXXXXXXXXXXXXX XXXX  
  XXXXX                      X XX X                                      X XX X XXXXXXXX XXXXXXXXXXX  X     XX XXXXXXXXX X   X       
  XXXXX                      X XX X                                      X  X   XXXX XXX XXXXXXX XXX  X     XX X  XXXXXX X           
  XXXXX                      X X  X                                             XXX  X X XXXXXXX XXX  X     X  X  XXXXXX X           
  XXXX                       X X                                                X X    X  XXXXXX  XX              XXXXX  X           
  X X                        X X                                                X      X   XXXXX  XX              XXXXX  X           
  X X                        X X                                                            XXXX   X               XXXX  X           
                             X X                                                            XXXX   X               XXXX  X           
                               X                                                            XXXX   X               XX X              
                                                                                            XXXX   X               XX X              
                                                                                             XXX   X               XX X              
                                                                                             XXX   X               XX                
                                                                                             XXX                   XX                
                                                                                             XXX                   XX                
                                                                                             XXX                    X                
                                                                                             XXX                    X                
                                                                                             XXX                    X                
                                                                                             XXX                                     
                                                                                             X                                       
                                                                                             X                                       
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000427   -0.000005974    0.000000246
      2        6           0.000001435    0.000003347    0.000001922
      3        6          -0.000002315   -0.000004778    0.000000377
      4        6          -0.000007077   -0.000005660    0.000000684
      5        8          -0.000003232    0.000004797    0.000002187
      6        6           0.000003325   -0.000001816    0.000002587
      7        8          -0.000000317    0.000006191    0.000000845
      8        1           0.000000967    0.000000416   -0.000000981
      9        8          -0.000001308    0.000004477   -0.000001316
     10        1          -0.000000313   -0.000000594   -0.000000112
     11        1          -0.000000451    0.000000481   -0.000000593
     12        8           0.000000582    0.000003043   -0.000001642
     13        6           0.000001067   -0.000003272    0.000006309
     14        1           0.000002480    0.000001814   -0.000001785
     15        8           0.000001273   -0.000002177   -0.000002997
     16        1           0.000000990   -0.000000729   -0.000000884
     17        1          -0.000001005   -0.000000969   -0.000000086
     18        1           0.000003652   -0.000000538   -0.000000953
     19        1           0.000001521   -0.000000267    0.000001483
     20        8          -0.000003878    0.000005937   -0.000003553
     21        1           0.000000870   -0.000000787    0.000003993
     22        1          -0.000002182   -0.000000231   -0.000000667
     23        1           0.000000034   -0.000002845   -0.000000498
     24        1           0.000004310    0.000000136   -0.000004564
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000007077 RMS     0.000002732
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.107458D+03  0.956585D+00 -0.170479D+01
      2   0.956585D+00  0.100890D+03  0.115312D+00
      3  -0.170479D+01  0.115312D+00  0.851294D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.188846D+01 -0.849260D+01 -0.141170D+01
      2   0.110672D+02 -0.333554D+01  0.136503D+02
      3   0.300766D+01 -0.795460D+01  0.163387D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.202311D+02 -0.134626D+02  0.114781D+02
      2  -0.219213D+02  0.121412D+02  0.845622D+01
      3   0.169018D+01  0.132140D+01 -0.199344D+02
      4  -0.129345D+02 -0.705860D+01 -0.102654D+02
      5  -0.870993D+01 -0.941746D+01  0.279464D+02
      6  -0.740021D+01 -0.101057D+02 -0.419143D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.398181D+01  0.612912D+00  0.407329D-02 -0.138371D+00  0.258500D+01
      2   0.612912D+00  0.296128D+01  0.815572D-01  0.258500D+01 -0.102821D+01
      3   0.407329D-02  0.815572D-01  0.100435D+01  0.427172D+00 -0.150280D+01
                 6             7             8             9            10 
      1   0.427172D+00 -0.338401D+00  0.388045D+00  0.136825D+01  0.385323D+01
      2  -0.150280D+01  0.388045D+00 -0.242048D+01 -0.126563D+01 -0.537597D+00
      3  -0.352544D+00  0.136825D+01 -0.126563D+01  0.731004D+01  0.288130D+00
                11            12            13            14            15 
      1  -0.537597D+00  0.288130D+00 -0.911816D+00 -0.288554D+01 -0.235656D+00
      2  -0.264256D+01 -0.118969D+00 -0.288554D+01 -0.360110D+00  0.107696D+01
      3  -0.118969D+00 -0.239947D+01 -0.235656D+00  0.107696D+01  0.153117D+01
                16            17            18            19            20 
      1   0.997055D+00 -0.344863D+00 -0.151451D+01  0.338889D+01 -0.478123D+00
      2  -0.344863D+00  0.155353D+01  0.979557D+00 -0.478123D+00 -0.278522D+01
      3  -0.151451D+01  0.979557D+00 -0.701066D+01  0.193675D+00  0.321578D+00
                21            22            23            24            25 
      1   0.193675D+00 -0.737387D+00 -0.327695D+01  0.130358D+00  0.622640D+00
      2   0.321578D+00 -0.327695D+01  0.109867D+01  0.153020D+01  0.463215D+00
      3  -0.928191D+00  0.130358D+00  0.153020D+01  0.134857D+01 -0.154665D+01
                26            27            28            29            30 
      1   0.463215D+00 -0.154665D+01 -0.248519D+01  0.189459D+01 -0.816297D+00
      2   0.217098D+01  0.100051D+01  0.189459D+01  0.232751D+01  0.943758D-02
      3   0.100051D+01 -0.680396D+01 -0.816297D+00  0.943758D-02  0.328027D+00
                31            32            33            34            35 
      1   0.232752D+01  0.342703D+01  0.714748D+00 -0.205479D+01  0.501531D+00
      2   0.342703D+01 -0.138149D+01 -0.176041D+01  0.501531D+00 -0.206723D+01
      3   0.714748D+00 -0.176041D+01 -0.171155D+01  0.355652D+00 -0.719418D+00
                36            37            38            39            40 
      1   0.355652D+00  0.532601D+01 -0.136157D+01 -0.780554D-01 -0.312802D+01
      2  -0.719418D+00 -0.136157D+01  0.207907D+00 -0.328222D+00 -0.969121D+00
      3   0.670203D+01 -0.780554D-01 -0.328222D+00 -0.378195D+00 -0.200904D+00
                41            42            43            44            45 
      1  -0.969121D+00 -0.200904D+00  0.221323D+01  0.473616D+00  0.179367D+00
      2  -0.368005D+01  0.783798D+00  0.473616D+00  0.135425D+01 -0.509993D+00
      3   0.783798D+00  0.717864D+00  0.179367D+00 -0.509993D+00 -0.739505D+00
                46            47            48            49            50 
      1  -0.430203D+01 -0.960820D+00  0.402841D-01  0.112546D+01  0.264648D+01
      2  -0.960820D+00  0.124829D+01  0.570046D+00  0.264648D+01 -0.104617D+01
      3   0.402841D-01  0.570046D+00  0.147176D+01 -0.824286D-01 -0.112069D+01
                51            52            53            54            55 
      1  -0.824286D-01 -0.930262D+00 -0.657409D-01  0.167089D+01  0.487000D+01
      2  -0.112069D+01 -0.657409D-01 -0.182757D+01 -0.818113D+00 -0.253158D-01
      3  -0.202641D+01  0.167089D+01 -0.818113D+00  0.688639D+01  0.487099D+00
                56            57            58            59            60 
      1  -0.253158D-01  0.487099D+00  0.848886D+00 -0.147054D+01 -0.363826D+00
      2   0.552825D+00  0.259402D+00 -0.147054D+01  0.671774D+01  0.185322D+01
      3   0.259402D+00  0.518603D+00 -0.363826D+00  0.185322D+01  0.266571D+00
                61            62            63            64            65 
      1   0.133325D+01 -0.800384D+00 -0.729743D+00 -0.131325D+00  0.130901D+00
      2  -0.800384D+00  0.280921D+01  0.199026D+01  0.130901D+00 -0.873037D+00
      3  -0.729743D+00  0.199026D+01  0.784091D+00 -0.120249D+01  0.180751D+00
                66            67            68            69            70 
      1  -0.120249D+01  0.263706D+00 -0.767474D+00  0.147530D+00 -0.188816D+01
      2   0.180751D+00 -0.767474D+00  0.788835D+00 -0.109417D+01  0.324421D+00
      3  -0.807592D+00  0.147530D+00 -0.109417D+01  0.620234D+00 -0.100573D+01
                71            72            73            74            75 
      1   0.324421D+00 -0.100573D+01 -0.667151D+01  0.208309D+01 -0.330742D+00
      2  -0.174119D+01  0.102344D+01  0.208309D+01  0.866132D+00 -0.465654D+00
      3   0.102344D+01 -0.703578D+01 -0.330742D+00 -0.465654D+00  0.711823D+00
                76            77            78            79            80 
      1   0.480575D+01  0.436646D+00 -0.571544D+00 -0.244478D+01 -0.606193D+00
      2   0.436646D+00  0.338085D+01 -0.971708D+00 -0.606193D+00 -0.137905D+01
      3  -0.571544D+00 -0.971708D+00  0.595812D+00 -0.928780D+00  0.409892D+00
                81            82            83            84            85 
      1  -0.928780D+00 -0.817043D-01 -0.313707D-01  0.119784D+01 -0.164104D+00
      2   0.409892D+00 -0.313707D-01  0.601524D+00 -0.288954D-01  0.578030D+00
      3   0.831843D-02  0.119784D+01 -0.288954D-01  0.738060D+00 -0.223168D-01
                86            87            88            89            90 
      1   0.578030D+00 -0.223168D-01  0.190285D+01  0.130329D+00  0.207221D-01
      2  -0.524328D+00  0.925958D+00  0.130329D+00  0.143194D+01 -0.672422D+00
      3   0.925958D+00 -0.832088D+00  0.207221D-01 -0.672422D+00  0.754596D+01
                91            92            93            94            95 
      1   0.395458D+00 -0.671456D-01  0.115049D+01  0.475401D-01  0.898833D+00
      2  -0.671456D-01  0.904147D+00  0.564769D-01  0.898833D+00 -0.244822D+00
      3   0.115049D+01  0.564769D-01  0.673311D+00  0.579265D-01  0.924025D+00
                96            97            98            99           100 
      1   0.579265D-01  0.202416D+01 -0.928443D-01  0.116747D+01  0.372790D+01
      2   0.924025D+00 -0.928443D-01  0.159116D+01  0.972203D-02  0.194086D+01
      3  -0.156361D+00  0.116747D+01  0.972203D-02  0.664403D+01 -0.117913D+01
               101           102           103           104           105 
      1   0.194086D+01 -0.117913D+01  0.799376D+00  0.334945D+01 -0.864919D-01
      2   0.418595D+01 -0.471493D-01  0.334945D+01 -0.524794D+00 -0.177479D+01
      3  -0.471493D-01  0.629481D+00 -0.864919D-01 -0.177479D+01 -0.780297D+00
               106           107           108           109           110 
      1  -0.160756D+01 -0.625581D+00  0.146672D+01  0.285707D+01 -0.221183D+01
      2  -0.625581D+00 -0.355579D+01  0.801705D+00 -0.221183D+01 -0.252762D+01
      3   0.146672D+01  0.801705D+00 -0.665969D+00  0.163027D+01 -0.254931D+00
               111           112           113           114           115 
      1   0.163027D+01 -0.192218D+01 -0.404101D+01 -0.641016D+00  0.308497D+01
      2  -0.254931D+00 -0.404101D+01  0.961495D+00  0.360733D+01 -0.902166D+00
      3  -0.868411D+00 -0.641016D+00  0.360733D+01  0.186783D+01 -0.284551D+01
               116           117           118           119           120 
      1  -0.902166D+00 -0.284551D+01  0.459979D+00 -0.168154D+00 -0.135930D+01
      2   0.384999D+01  0.252557D+01 -0.168154D+00 -0.403558D+00  0.549489D-01
      3   0.252557D+01 -0.680849D+00 -0.135930D+01  0.549489D-01 -0.256926D+00
               121           122           123           124           125 
      1  -0.103033D+00 -0.358116D+00 -0.165827D+00 -0.188631D+01 -0.243838D+00
      2  -0.358116D+00  0.616941D+00 -0.108888D+01 -0.243838D+00 -0.132684D+01
      3  -0.165827D+00 -0.108888D+01  0.561769D+00  0.463612D+00  0.337334D+00
               126           127           128           129           130 
      1   0.463612D+00 -0.257913D+01 -0.182396D+01  0.860400D+00 -0.145102D+01
      2   0.337334D+00 -0.182396D+01 -0.327870D+01 -0.248258D+00 -0.238649D+01
      3  -0.825470D+01  0.860400D+00 -0.248258D+00 -0.393399D+00 -0.597259D-01
               131           132           133           134           135 
      1  -0.238649D+01 -0.597259D-01  0.181322D+01  0.571592D+00 -0.118897D+01
      2   0.128978D+01  0.230363D+01  0.571592D+00  0.497751D+01 -0.199098D+00
      3   0.230363D+01  0.102486D+01 -0.118897D+01 -0.199098D+00  0.113288D+01
               136           137           138           139           140 
      1  -0.447623D+00 -0.478051D-02 -0.137242D+01  0.863087D-01 -0.625163D+00
      2  -0.478051D-02 -0.398934D+00 -0.263619D+00 -0.625163D+00  0.711409D-01
      3  -0.137242D+01 -0.263619D+00 -0.880147D+00  0.424300D-01 -0.101276D+01
               141           142           143           144           145 
      1   0.424300D-01 -0.225920D+01 -0.511552D+00 -0.140731D+01 -0.698025D+01
      2  -0.101276D+01 -0.511552D+00 -0.152488D+01 -0.459576D+00  0.254212D+01
      3   0.397300D+00 -0.140731D+01 -0.459576D+00 -0.754741D+01  0.586993D+00
               146           147           148           149           150 
      1   0.254212D+01  0.586993D+00  0.128014D+01 -0.112289D+01 -0.136774D+00
      2  -0.273713D+01 -0.518238D+00 -0.112289D+01  0.112388D+01 -0.145134D-01
      3  -0.518238D+00 -0.110656D+01 -0.136774D+00 -0.145134D-01  0.415328D+00
               151           152           153           154           155 
      1  -0.196750D+00  0.244496D-01 -0.629843D+00 -0.441280D+01 -0.205943D+01
      2   0.244496D-01 -0.195228D+00  0.444282D+00 -0.205943D+01 -0.199142D+01
      3  -0.629843D+00  0.444282D+00  0.398329D+00  0.663104D+00  0.395649D+00
               156           157           158           159           160 
      1   0.663104D+00 -0.403625D+01 -0.238555D+01  0.586759D+00  0.149661D+01
      2   0.395649D+00 -0.238555D+01 -0.304039D+01  0.660768D+00  0.769105D+00
      3  -0.974364D+00  0.586759D+00  0.660768D+00 -0.810076D+00 -0.106311D+01
               161           162           163           164           165 
      1   0.769105D+00 -0.106311D+01 -0.643403D+00  0.641982D+00  0.333982D+00
      2   0.986760D+00 -0.564083D+00  0.641982D+00 -0.183245D+01 -0.120307D+00
      3  -0.564083D+00  0.491821D+00  0.333982D+00 -0.120307D+00 -0.256019D+00
               166           167           168           169           170 
      1   0.134259D+01 -0.139723D+00 -0.175483D+00  0.589033D+00 -0.384078D-01
      2  -0.139723D+00  0.726919D+01  0.703277D+00 -0.384078D-01  0.193484D+01
      3  -0.175483D+00  0.703277D+00  0.122373D+01 -0.828481D-01  0.997393D+00
               171           172           173           174           175 
      1  -0.828481D-01  0.344865D+01  0.781972D+00  0.160017D+01  0.159117D+01
      2   0.997393D+00  0.781972D+00  0.196102D+01 -0.107008D+01  0.191640D+01
      3   0.253872D+00  0.160017D+01 -0.107008D+01  0.225848D+01 -0.562456D+00
               176           177           178           179           180 
      1   0.191640D+01 -0.562456D+00  0.116048D+01 -0.642309D+00  0.326938D+01
      2   0.146897D+01  0.185883D+00 -0.642309D+00 -0.535503D+00 -0.872088D+00
      3   0.185883D+00  0.113722D+01  0.326938D+01 -0.872088D+00  0.402422D+01
               181           182           183           184           185 
      1   0.426329D+01  0.231298D+01 -0.111350D+01  0.372588D+01  0.233727D+01
      2   0.231298D+01  0.187446D+01 -0.360559D+00  0.233727D+01  0.349832D+01
      3  -0.111350D+01 -0.360559D+00  0.109671D+01 -0.552226D+00 -0.129007D+01
               186           187           188           189           190 
      1  -0.552226D+00 -0.144620D+01 -0.340525D+00  0.140314D+01  0.209758D+01
      2  -0.129007D+01 -0.340525D+00 -0.107881D+01  0.776001D+00 -0.151498D+01
      3   0.108135D+01  0.140314D+01  0.776001D+00 -0.805595D+00 -0.158669D+01
               191           192           193           194           195 
      1  -0.151498D+01 -0.158669D+01 -0.273256D+01  0.311938D+01  0.132750D+01
      2   0.154227D+01  0.672404D+00  0.311938D+01 -0.524947D+01 -0.275013D+01
      3   0.672404D+00  0.987110D+00  0.132750D+01 -0.275013D+01 -0.286518D+01
               196           197           198           199           200 
      1  -0.223030D+01  0.132610D+01  0.188897D+01 -0.123996D+00 -0.732843D+00
      2   0.132610D+01 -0.250720D+01 -0.252846D+01 -0.732843D+00  0.174233D+01
      3   0.188897D+01 -0.252846D+01 -0.344836D+01 -0.308137D+00  0.373497D+00
               201           202           203           204           205 
      1  -0.308137D+00 -0.106802D+01 -0.125640D+00  0.111346D+00 -0.619545D+00
      2   0.373497D+00 -0.125640D+00 -0.835982D+01 -0.163092D+01 -0.748321D-01
      3   0.263609D+00  0.111346D+00 -0.163092D+01 -0.147349D+01  0.419358D-01
               206           207           208           209           210 
      1  -0.748321D-01  0.419358D-01 -0.184728D+01 -0.963499D+00  0.310253D+00
      2  -0.376572D+01 -0.176614D+01 -0.963499D+00 -0.150502D+01  0.849132D+00
      3  -0.176614D+01 -0.100612D+01  0.310253D+00  0.849132D+00 -0.143206D+01
               211           212           213           214           215 
      1  -0.185159D+01 -0.740324D+00  0.310908D+00  0.664778D+00  0.316832D+00
      2  -0.740324D+00 -0.284615D+01  0.145677D+01  0.316832D+00  0.126531D+01
      3   0.310908D+00  0.145677D+01 -0.178161D+01 -0.353112D+00 -0.920650D+00
               216 
      1  -0.353112D+00
      2  -0.920650D+00
      3   0.181695D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.999552D-01  0.181404D+00 -0.207388D+01 -0.634734D+00  0.898218D+00
      2  -0.301846D+00 -0.719902D-01  0.136313D+00  0.406873D+00  0.170688D+01
      3  -0.296431D+01 -0.671128D+00 -0.255654D+00  0.492186D+01  0.186333D+01
                 6             7             8             9            10 
      1   0.662070D+00 -0.139495D+01  0.456143D+01 -0.677415D+01 -0.368209D+00
      2   0.102634D+01 -0.392918D+01  0.654937D+00 -0.499529D+01 -0.208253D+01
      3  -0.714159D+00  0.744973D-01 -0.160823D+01  0.313099D+00 -0.123616D+01
                11            12            13            14            15 
      1  -0.130904D+01 -0.566238D+00  0.119772D+00 -0.380456D-01 -0.201318D+01
      2  -0.552115D+00  0.298891D+01 -0.380047D-01 -0.167933D+01 -0.270451D+01
      3  -0.615912D+01 -0.217732D+00 -0.264470D+00  0.386037D+00  0.194275D+01
                16            17            18            19            20 
      1  -0.818534D+00  0.374850D+01 -0.123596D+01 -0.359916D+00 -0.192395D+00
      2  -0.149851D+01 -0.148551D+01  0.993270D+01 -0.208704D+00  0.880056D+00
      3  -0.378640D+00  0.233645D+01  0.193918D+01  0.360345D+01 -0.131276D+01
                21            22            23            24            25 
      1   0.249647D+01 -0.648992D-01 -0.199267D+01 -0.229288D+01  0.229925D+01
      2   0.120560D+01 -0.748352D+00  0.822343D+00 -0.371153D+00 -0.476192D+01
      3  -0.416439D-01  0.462941D+01 -0.487220D+01 -0.208102D+01  0.305062D+00
                26            27            28            29            30 
      1   0.212950D+01  0.566952D+01 -0.181899D+01 -0.729024D+00  0.984415D+00
      2   0.595346D+00 -0.305685D+01 -0.719221D+01  0.326038D+01 -0.307151D+00
      3  -0.124634D+01 -0.264623D+01 -0.565704D+01 -0.814641D+01 -0.785816D+00
                31            32            33            34            35 
      1  -0.893059D+00  0.527656D+00  0.146488D+01 -0.165857D+00  0.412427D+01
      2   0.237541D+01 -0.139252D+01 -0.362398D+01 -0.518684D+01  0.843211D-01
      3  -0.452324D+01  0.160512D+01  0.345444D+01 -0.342261D-01  0.306805D+01
                36            37            38            39            40 
      1  -0.335099D+00  0.132559D+01 -0.399118D-01 -0.159536D+01  0.141690D+01
      2   0.107852D+02  0.311116D+01 -0.670290D+00  0.868500D+01 -0.194033D+01
      3   0.202271D+01 -0.797928D+01 -0.461242D+01  0.164364D+00  0.140489D+02
                41            42            43            44            45 
      1   0.223201D+01 -0.554763D+01  0.182321D+01  0.186652D+01  0.104531D+01
      2  -0.116832D+01  0.168750D+01 -0.484221D+01 -0.120589D+01  0.245804D+00
      3   0.491060D+01 -0.433176D+00 -0.267755D+01 -0.122829D+01 -0.380597D+00
                46            47            48            49            50 
      1   0.673080D+00 -0.780508D+00  0.211338D+01 -0.979066D+00 -0.244953D+01
      2  -0.238361D+01 -0.127604D+01 -0.506768D+01 -0.246692D+00  0.286055D+01
      3   0.504643D+01  0.434644D+01 -0.549370D-01  0.306231D+01 -0.224581D+01
                51            52            53            54            55 
      1  -0.104522D+01  0.741716D+00  0.194026D+01  0.760718D+01 -0.918846D+00
      2   0.156557D+01 -0.623505D+01 -0.387052D+00 -0.866696D+01 -0.517810D+01
      3  -0.204205D+01  0.106321D+01 -0.152700D+01 -0.341720D+01  0.158225D+02
                56            57            58            59            60 
      1   0.221871D+00 -0.338504D+00  0.167536D+01 -0.213785D+01 -0.603986D+01
      2   0.193311D+01  0.189902D+01  0.276175D+00 -0.253513D+01 -0.159241D+01
      3  -0.283434D+01  0.598615D-01  0.543382D+01  0.635712D+01  0.101087D+01
                61            62            63            64            65 
      1   0.681433D+00  0.421010D+00 -0.300094D+01  0.117270D+01  0.325127D+00
      2  -0.347447D+01 -0.164665D+01 -0.146171D+01  0.971384D+00 -0.234874D+00
      3   0.303947D+01  0.253485D+01  0.108627D+01 -0.247601D-02 -0.151307D+01
                66            67            68            69            70 
      1   0.626328D+00  0.939216D-01  0.124377D+01 -0.902238D+00  0.872604D+00
      2   0.152461D+01  0.101404D+00  0.520728D+00 -0.112414D+00 -0.276530D+01
      3  -0.114819D+01  0.755929D+00 -0.264809D+00 -0.826165D+00 -0.242502D+01
                71            72            73            74            75 
      1   0.291229D+01  0.885400D+01  0.509601D+00  0.438535D-01  0.552146D+00
      2  -0.488832D+00  0.632771D+01  0.419047D+01  0.189974D+01  0.447986D+01
      3  -0.158969D+01 -0.143972D+00  0.864232D+01 -0.229726D+01 -0.199693D+01
                76            77            78            79            80 
      1  -0.953140D+00  0.991602D+00 -0.193111D+01  0.785775D+00  0.276794D+01
      2   0.168219D+01  0.285975D+01 -0.289656D+01 -0.163378D+01 -0.171152D+01
      3   0.719866D+01  0.147371D+02 -0.300773D+01 -0.218311D+01 -0.522410D+01
                81            82            83            84            85 
      1   0.352324D-01  0.129645D+00  0.802123D+00  0.114291D+00  0.462939D+00
      2   0.205410D+01 -0.287210D+01  0.232566D+00 -0.124926D+01  0.616379D+00
      3   0.135744D+01 -0.932138D-01  0.431320D-01 -0.287436D+00  0.175933D+01
                86            87            88            89            90 
      1  -0.367144D+00 -0.104443D+01  0.158023D+00  0.332802D+01  0.898304D+00
      2  -0.164986D+01  0.130013D+01 -0.423708D+01  0.846286D+00 -0.113862D+02
      3  -0.729374D+00  0.143070D+01 -0.386875D+00  0.201955D+01 -0.641655D+00
                91            92            93            94            95 
      1  -0.160728D+01  0.629801D+00 -0.855088D+00  0.336504D+00 -0.135242D+01
      2   0.211157D+00  0.375813D+00  0.475151D+00  0.703992D+00  0.228187D+00
      3   0.806666D+00 -0.162982D+01  0.122004D+01  0.319164D+00  0.818473D+00
                96            97            98            99           100 
      1  -0.174699D-02 -0.166193D+01  0.348038D+01 -0.735481D+01  0.217963D+01
      2  -0.351913D-01 -0.321795D+01  0.199821D+00  0.391933D+01 -0.278223D+00
      3  -0.650991D+00  0.221400D+01 -0.158313D+01  0.122002D+01  0.750574D+01
               101           102           103           104           105 
      1  -0.187042D+01 -0.335687D+01 -0.651806D+00  0.671659D+01 -0.168431D+01
      2  -0.251824D+00  0.417945D+01  0.890378D+00 -0.136449D+01  0.106566D+01
      3  -0.911779D+01 -0.237398D+01  0.216294D+00  0.931084D+01  0.279649D+01
               106           107           108           109           110 
      1  -0.260329D+01  0.462736D+01  0.335163D+01  0.291850D+01  0.132183D+01
      2  -0.137884D+01  0.791177D+00 -0.139894D+01  0.952947D+01 -0.336161D+01
      3  -0.441795D+01  0.488967D+01  0.198308D+01  0.676005D+01  0.760482D+01
               111           112           113           114           115 
      1  -0.962123D+00  0.152391D+01  0.144999D+01 -0.383485D+01 -0.123487D+01
      2   0.970866D+00 -0.396184D+01  0.821488D+01  0.556459D+01 -0.770553D+01
      3  -0.656813D-01  0.177387D+02 -0.580377D+00 -0.956817D+01  0.611592D+00
               116           117           118           119           120 
      1  -0.201037D+01 -0.221450D+01 -0.680778D-03  0.900339D+00  0.279443D+00
      2   0.672543D+01 -0.422983D+01 -0.225801D+01 -0.253673D+00 -0.538277D+00
      3  -0.101667D+02 -0.566969D+01  0.272022D+00  0.546018D-01  0.258444D+00
               121           122           123           124           125 
      1   0.183701D+00 -0.143470D+01  0.142181D+00  0.294662D+00  0.425453D+01
      2  -0.777671D-01 -0.204984D+01  0.810973D+00 -0.503441D+01  0.415535D+00
      3   0.209800D+01 -0.159766D+01  0.164562D+01  0.622436D+00  0.208787D+01
               126           127           128           129           130 
      1  -0.120366D+01  0.167922D+01 -0.405859D+00 -0.293260D+01  0.861839D+00
      2  -0.118756D+02 -0.215892D+01 -0.103441D+00  0.427888D+01  0.348834D+00
      3  -0.155916D+01  0.511530D+01 -0.690511D+01 -0.246732D+01  0.379287D+01
               131           132           133           134           135 
      1   0.985731D+01 -0.228388D+01 -0.195333D+01  0.504061D+01  0.530196D+01
      2  -0.420821D+01  0.394388D+00 -0.422309D+00  0.269487D+00 -0.247197D+01
      3   0.797844D+01  0.415057D+01 -0.497180D+01  0.792297D+01  0.294065D+01
               136           137           138           139           140 
      1  -0.202061D+01  0.117234D+00 -0.897470D+00  0.514587D+00 -0.167408D+01
      2   0.130379D+01  0.655392D+00  0.122020D+01  0.815170D+00  0.863544D+00
      3   0.101044D+01 -0.183792D+01  0.171860D+01 -0.205861D+00  0.151169D+01
               141           142           143           144           145 
      1   0.743638D+00 -0.894108D+00  0.446113D+01 -0.872234D+01 -0.175580D+00
      2  -0.916945D+00 -0.302837D+01 -0.111516D+00  0.905083D+01  0.431910D+01
      3  -0.114629D+01  0.293555D+01 -0.161071D+01  0.227287D+01 -0.172992D+02
               146           147           148           149           150 
      1  -0.177604D+00  0.266229D+01 -0.799340D-01  0.269344D+00 -0.779346D+00
      2  -0.935191D+00  0.236603D+01 -0.637670D+00  0.663591D+00 -0.692143D+00
      3   0.363392D+00  0.700846D+00  0.153192D+01 -0.210913D+01 -0.569481D+00
               151           152           153           154           155 
      1   0.127715D+01 -0.119841D+00 -0.655848D+00 -0.547219D-02  0.537908D-01
      2   0.466259D+00 -0.721546D+00 -0.322411D+00 -0.205347D+01 -0.143067D+01
      3  -0.936154D+00 -0.448976D+00 -0.631206D+00 -0.702083D+01 -0.751914D+01
               156           157           158           159           160 
      1  -0.610075D+00  0.256353D+00 -0.805854D+00 -0.770944D+00 -0.303779D+00
      2   0.333555D+01 -0.200673D+01 -0.237847D+01  0.325753D+01  0.213497D+01
      3   0.153550D+01 -0.712800D+01 -0.126403D+02  0.241859D+01  0.277509D+01
               161           162           163           164           165 
      1   0.726898D+00  0.330721D+00 -0.158986D+01  0.181913D+01  0.141883D+01
      2   0.176403D+01 -0.131062D+01  0.240385D+00 -0.248913D-01 -0.465544D+00
      3   0.382931D+01 -0.156061D+01 -0.461968D+01  0.470598D+01  0.170812D+01
               166           167           168           169           170 
      1   0.106296D+01 -0.620401D+01 -0.447680D+01  0.597784D+00 -0.287162D+01
      2  -0.354111D-01  0.732175D+00  0.113727D+01 -0.107276D+01  0.100949D+01
      3   0.546545D+01 -0.126660D+02 -0.206820D+01  0.267031D+01 -0.384482D+01
               171           172           173           174           175 
      1  -0.141451D+01  0.246254D+01  0.260551D+01  0.151804D+01  0.132019D+01
      2   0.322336D+00 -0.293409D+00 -0.549945D+01  0.113142D+02 -0.400933D+01
      3  -0.175888D+01 -0.734158D+01 -0.999418D+01  0.269482D+01 -0.575186D+01
               176           177           178           179           180 
      1   0.332014D+01 -0.331232D+01  0.639786D+00  0.464998D+01  0.514934D+01
      2  -0.183169D+01  0.372620D+01  0.394904D+01 -0.605400D+00  0.133927D+02
      3  -0.550534D+01  0.126935D+00  0.139320D+01  0.107603D+01 -0.740315D-01
               181           182           183           184           185 
      1  -0.201249D+01 -0.155085D+01 -0.257569D+00 -0.171682D+01 -0.316686D+01
      2  -0.809481D+00  0.144612D+00  0.379035D+01  0.999369D+00 -0.260057D+01
      3  -0.829159D+01 -0.800379D+01  0.168430D+01 -0.694468D+01 -0.140425D+02
               186           187           188           189           190 
      1   0.481642D-01  0.423857D+00  0.220551D+01 -0.659007D+00  0.119785D+00
      2   0.392562D+01  0.198171D+01  0.211592D+01 -0.140053D+01 -0.317460D+01
      3   0.425892D+01  0.144628D+01  0.380430D+01 -0.293631D+01  0.248311D+01
               191           192           193           194           195 
      1  -0.107866D+01  0.754839D+00 -0.131419D+01  0.300072D+01 -0.209015D+01
      2   0.120442D+01  0.256411D+01  0.101562D+01 -0.579644D+01 -0.842239D+01
      3  -0.470227D+01 -0.103939D+01 -0.463813D+01  0.136321D+02  0.693298D+01
               196           197           198           199           200 
      1   0.417780D+00  0.133295D+01 -0.174270D+01 -0.472787D+00  0.161136D+01
      2   0.214630D+01 -0.643162D+01 -0.916850D+01  0.701614D+00 -0.340745D+00
      3  -0.143449D+01  0.672310D+01  0.614587D+01 -0.205458D+01  0.387306D+01
               201           202           203           204           205 
      1   0.145961D+01  0.382774D+00 -0.631638D+01 -0.532215D+01  0.395785D+00
      2  -0.264899D+00 -0.512249D+00  0.243781D+01  0.198099D+01 -0.994714D+00
      3   0.143559D+01  0.385389D+01 -0.139866D+02 -0.338084D+01  0.215584D+01
               206           207           208           209           210 
      1  -0.490723D+01 -0.309953D+01 -0.191953D+01 -0.249911D+01 -0.534314D+00
      2   0.239931D+01  0.127860D+01  0.581381D+01  0.447818D+01 -0.493826D+01
      3  -0.644761D+01 -0.323862D+01  0.700941D+01  0.581554D+01 -0.250256D+01
               211           212           213           214           215 
      1  -0.207120D+01 -0.262528D+01 -0.270902D+00  0.104343D+00  0.177956D+01
      2   0.398259D+01  0.674441D+01 -0.607508D+01 -0.299988D+01 -0.355406D+01
      3   0.637046D+01  0.860776D+01 -0.453194D+01 -0.146074D+01 -0.376653D+01
               216 
      1   0.226637D+00
      2   0.528736D+01
      3   0.337697D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.378257D+01 -0.618411D+01 -0.112459D+00 -0.355323D+01  0.313393D+01
      2  -0.985334D+00  0.878358D+01  0.415508D-01  0.585366D+01 -0.100868D+02
      3  -0.279724D+01 -0.259947D+01  0.709080D-01 -0.230043D+01  0.695286D+01
      4  -0.387658D+01 -0.501967D+01  0.155523D+00 -0.961812D+01  0.654525D+01
      5   0.115223D+01 -0.123064D+01 -0.314102D+01 -0.282109D+01  0.188540D+01
      6   0.136485D+01  0.149650D+01  0.502723D+01  0.250923D+01 -0.668994D+01
                 6             7             8             9            10 
      1   0.335706D+01  0.150454D+01  0.391442D+01  0.485647D+01 -0.226720D+02
      2  -0.231622D+01  0.238586D+01 -0.982928D+01  0.329265D+01  0.116223D+02
      3  -0.104084D+01 -0.389040D+01  0.591486D+01 -0.814912D+01  0.110497D+02
      4   0.267969D+01 -0.199735D+01  0.577269D+01  0.483068D+01  0.315202D+01
      5   0.280574D+01 -0.345250D+01  0.303405D+01 -0.149253D+02 -0.153717D+01
      6  -0.640244D+01  0.425422D+01 -0.493175D+01  0.185809D+02 -0.434787D+00
                11            12            13            14            15 
      1  -0.136261D+01  0.917439D+00  0.299255D+01  0.101747D+02  0.105077D+00
      2   0.278680D+01  0.204419D+01 -0.163121D+01 -0.547469D+01 -0.121093D+01
      3  -0.142419D+01 -0.296162D+01 -0.136133D+01 -0.470000D+01  0.110586D+01
      4   0.970160D+00  0.104107D+00  0.809690D+01  0.530139D+00 -0.265942D+01
      5  -0.356072D-01  0.103919D+01  0.110184D+01 -0.223075D+01 -0.476345D+01
      6   0.421044D+00  0.202501D+01 -0.849514D+00 -0.280177D+00 -0.457507D-02
                16            17            18            19            20 
      1  -0.456862D+01  0.146784D+01  0.127013D+02 -0.102024D+01  0.523081D+01
      2   0.276785D+01 -0.390601D+01  0.191385D+01 -0.476283D+00 -0.967504D+01
      3   0.180078D+01  0.243817D+01 -0.146151D+02  0.149652D+01  0.444423D+01
      4   0.193277D+01 -0.324735D+01 -0.273694D+01  0.560462D+00 -0.727704D+01
      5   0.554659D+01 -0.291936D+01  0.206786D+02  0.136916D+01  0.231617D+01
      6   0.570411D+00 -0.304697D+00  0.464041D+01 -0.173185D+00  0.340507D+01
                21            22            23            24            25 
      1  -0.113643D+01  0.193888D+01 -0.246768D+01 -0.314856D+01  0.140296D+01
      2   0.385294D+00 -0.647762D+01 -0.364178D+00  0.296702D+01  0.295350D+01
      3   0.751133D+00  0.453873D+01  0.283186D+01  0.181537D+00 -0.435646D+01
      4   0.110946D+01 -0.105294D+02 -0.439859D+01  0.175984D+01  0.322355D+01
      5  -0.359891D+01  0.136636D+01  0.324130D+01  0.739385D-01 -0.301061D+01
      6  -0.486995D+01  0.279437D+01  0.404178D+01 -0.176099D+01 -0.342856D+01
                26            27            28            29            30 
      1  -0.204246D+01 -0.186145D+01 -0.163286D+02  0.684106D+01 -0.189970D+01
      2   0.572551D+01  0.611780D+01  0.799461D+01 -0.706961D+01  0.205158D+01
      3  -0.368306D+01 -0.425635D+01  0.833399D+01  0.228545D+00 -0.151879D+00
      4   0.571074D+01 -0.424305D+00  0.167421D+01 -0.180577D+01  0.129168D+00
      5   0.954986D+00 -0.101107D+02 -0.245798D+01 -0.705571D+00 -0.139934D+01
      6   0.668847D+00 -0.139793D+02  0.159038D+00 -0.206395D+01 -0.601149D+00
                31            32            33            34            35 
      1   0.375113D+01  0.103391D+02 -0.279793D+01 -0.589747D+01  0.219989D+00
      2  -0.249689D+01 -0.108166D+02 -0.347519D+01  0.334441D+01 -0.892495D+00
      3  -0.125424D+01  0.477557D+00  0.627312D+01  0.255306D+01  0.672507D+00
      4  -0.202109D+01 -0.770301D+01 -0.485162D+01  0.435025D+01 -0.258870D+01
      5   0.161896D+01 -0.720407D+01 -0.723251D+01  0.249975D+00 -0.217368D+01
      6  -0.384247D+01  0.330687D+01 -0.265204D+00 -0.779124D+00  0.874653D+00
                36            37            38            39            40 
      1   0.154334D+02  0.115114D+02 -0.202679D+01  0.134433D+01 -0.635019D+00
      2   0.113145D+02 -0.715194D+01  0.110102D+01 -0.134289D+01  0.115153D+01
      3  -0.267479D+02 -0.435950D+01  0.925774D+00 -0.144005D-02 -0.516510D+00
      4  -0.273215D+01 -0.997685D+01  0.120221D+02 -0.341236D+00  0.116629D+02
      5   0.171399D+02  0.158971D+01  0.252456D+00  0.142123D+02 -0.918644D+00
      6   0.240052D+00  0.750264D+00  0.607960D+00  0.414031D+01  0.106590D+01
                41            42            43            44            45 
      1  -0.122702D+02  0.286913D+01  0.324365D+01  0.190169D+01 -0.511956D+01
      2   0.182050D+02  0.874870D+00 -0.372284D+01 -0.317363D+01 -0.221358D+01
      3  -0.593475D+01 -0.374400D+01  0.479196D+00  0.127193D+01  0.733314D+01
      4  -0.112686D+01  0.565488D+00 -0.520452D+01 -0.637803D+00 -0.197538D+01
      5   0.179373D+01  0.248920D+01  0.395898D+01 -0.159883D+01  0.138854D+01
      6  -0.301956D+00  0.560041D+01 -0.158064D+01  0.504691D+01  0.179718D+00
                46            47            48            49            50 
      1  -0.113723D+02  0.610733D+01  0.269584D+01 -0.184259D+01 -0.372458D+01
      2   0.984927D+01 -0.721464D+01  0.549898D+00 -0.472803D+01 -0.274406D+01
      3   0.152299D+01  0.110731D+01 -0.324574D+01  0.657062D+01  0.646864D+01
      4   0.674652D+01 -0.121164D+02 -0.130125D+01 -0.144228D+02 -0.711851D+01
      5   0.183452D+01 -0.111309D+00 -0.131307D+02  0.128108D+01  0.187671D+01
      6  -0.111119D-01  0.560191D+00 -0.765548D+01  0.236867D+00  0.445219D+01
                51            52            53            54            55 
      1  -0.394307D+01  0.328697D+01 -0.368656D+01  0.409550D+01 -0.134938D+02
      2  -0.355735D+00  0.303005D+01  0.701155D+01  0.141914D+02  0.600358D+01
      3   0.429880D+01 -0.631702D+01 -0.332499D+01 -0.182869D+02  0.749026D+01
      4   0.249291D+01  0.278640D+01  0.530316D+01 -0.150274D+00  0.202871D+02
      5   0.212545D+01 -0.579923D+01  0.104226D+01 -0.184855D+02  0.109540D+01
      6  -0.122283D+01 -0.362231D+01  0.135638D+01 -0.178861D+02  0.253217D+01
                56            57            58            59            60 
      1   0.226264D+01 -0.763962D+00  0.268989D+01 -0.232993D+02 -0.725589D+01
      2  -0.823910D+00  0.171216D+01 -0.596438D+01  0.394307D+02  0.600614D+01
      3  -0.143873D+01 -0.948199D+00  0.327449D+01 -0.161315D+02  0.124975D+01
      4   0.210421D+01  0.106187D+01  0.110928D+02 -0.199422D+02 -0.514718D+01
      5  -0.254956D+00  0.376303D+01  0.204112D+01 -0.379022D+01 -0.207466D+01
      6   0.108544D-01  0.306882D+00 -0.261279D+01  0.126091D+02  0.117866D+02
                61            62            63            64            65 
      1  -0.139310D+01 -0.874698D+01 -0.884702D+01  0.975899D+00  0.835286D+00
      2  -0.894217D+00  0.118690D+02  0.372250D+01 -0.299038D+01 -0.145654D+01
      3   0.228732D+01 -0.312206D+01  0.512452D+01  0.201448D+01  0.621258D+00
      4   0.671246D+01 -0.874506D+01 -0.578047D+01 -0.139299D+01  0.366067D+01
      5   0.596443D+01 -0.535032D+01 -0.354033D+01  0.440466D+01 -0.140856D+01
      6  -0.365745D+01  0.158238D+02  0.791828D+01 -0.385139D+01  0.650184D+00
                66            67            68            69            70 
      1   0.184294D+01  0.106764D+01 -0.345093D+01  0.291701D+01  0.137976D+01
      2  -0.236484D+01 -0.163690D+01  0.247092D+01 -0.289637D+01 -0.258446D+01
      3   0.521893D+00  0.569264D+00  0.980017D+00 -0.206387D-01  0.120470D+01
      4  -0.338740D+01  0.340094D+01 -0.271851D+01  0.268679D+01 -0.452324D+01
      5   0.769328D+01 -0.514809D+00  0.274555D+01 -0.133677D+01  0.630895D+01
      6  -0.220444D+01  0.116790D+01 -0.457433D+01  0.705394D+01 -0.341654D+01
                71            72            73            74            75 
      1   0.410422D+01 -0.113734D+02  0.464082D+02 -0.130833D+02  0.293577D+01
      2  -0.345421D+01 -0.105879D+02 -0.274518D+02  0.633472D+01 -0.240896D+01
      3  -0.650017D+00  0.219612D+02 -0.189564D+02  0.674854D+01 -0.526811D+00
      4   0.402204D+01 -0.370383D+01 -0.161211D+02  0.245441D+01  0.271098D+01
      5  -0.251548D+01  0.172133D+02  0.536011D+01  0.355725D+01  0.826047D+01
      6   0.683895D+01 -0.220080D+02  0.552022D+00  0.366032D+00 -0.161555D+01
                76            77            78            79            80 
      1  -0.280048D+02 -0.733752D+01  0.327181D+01  0.153083D+02  0.330428D+01
      2   0.150866D+02  0.698001D+01 -0.155460D+01 -0.809309D+01 -0.154722D+01
      3   0.129182D+02  0.357509D+00 -0.171722D+01 -0.721523D+01 -0.175705D+01
      4  -0.179771D+01 -0.195843D+02  0.573207D+01  0.325021D+01  0.754699D+01
      5   0.428365D+01  0.693344D+01 -0.458509D+01  0.105457D+02 -0.335419D+01
      6   0.160732D+01  0.163685D+01  0.362350D+01 -0.101855D+01  0.280876D+01
                81            82            83            84            85 
      1   0.268796D+01 -0.161511D-02  0.419577D+00 -0.550712D+01  0.759380D+00
      2  -0.568201D+01 -0.309821D+01 -0.975947D-01  0.119542D+01 -0.365874D+00
      3   0.299406D+01  0.309983D+01 -0.321983D+00  0.431170D+01 -0.393506D+00
      4  -0.313863D+01 -0.131538D+00  0.342371D-01 -0.277629D+00  0.179902D-01
      5   0.255106D+01 -0.270099D+01 -0.310779D+00  0.300577D+01 -0.260997D+00
      6   0.456292D+00 -0.834725D+00  0.330833D+00 -0.491722D+00 -0.240249D-01
                86            87            88            89            90 
      1  -0.505572D+01  0.165490D+01 -0.693692D+01  0.140333D+01 -0.164164D+02
      2   0.995081D+00  0.742076D-01  0.335353D+01  0.629269D+00 -0.131915D+02
      3   0.406064D+01 -0.172911D+01  0.358339D+01 -0.203260D+01  0.296079D+02
      4   0.138773D+01 -0.245934D+01 -0.935297D+00 -0.364593D+01  0.164153D+01
      5  -0.264426D+01  0.211979D+01  0.399437D+01  0.211663D+01 -0.210682D+02
      6  -0.153738D+01  0.679450D+01 -0.135873D+00  0.411535D+01 -0.469500D+01
                91            92            93            94            95 
      1   0.153198D+01 -0.159052D+01  0.180373D+01 -0.138084D+01 -0.713868D+00
      2  -0.305160D+01  0.246921D+01 -0.153305D+01  0.205914D+01 -0.114454D+01
      3   0.151962D+01 -0.878687D+00 -0.270679D+00 -0.678299D+00  0.185840D+01
      4   0.615647D+00  0.276756D+01  0.153156D+01  0.310462D+01  0.779236D+00
      5   0.361287D+01 -0.171480D+00  0.550275D+01  0.248694D-01  0.213021D+01
      6   0.230940D+01  0.276477D-01  0.153525D+01  0.452276D+00  0.192106D+01
                96            97            98            99           100 
      1  -0.148203D+01  0.152924D+01 -0.270360D+01 -0.820159D+01  0.107474D+02
      2   0.230136D+01 -0.323337D+01  0.426541D+01 -0.118184D+02 -0.171144D+01
      3  -0.819328D+00  0.170413D+01 -0.156181D+01  0.200200D+02 -0.903593D+01
      4   0.239660D+01  0.257419D+01  0.296279D+01  0.938493D+00  0.180477D+02
      5   0.695032D-02  0.568808D+01 -0.193544D+00  0.129389D+02 -0.447346D+01
      6   0.393597D+01  0.231337D+01  0.313147D+01  0.142944D+02 -0.582734D+01
               101           102           103           104           105 
      1  -0.843324D+01 -0.875104D+00 -0.382437D+01  0.711614D+01  0.614658D+01
      2   0.196532D+02  0.247995D+01  0.118945D+02 -0.615784D+01 -0.828353D+01
      3  -0.112200D+02 -0.160485D+01 -0.807016D+01 -0.958294D+00  0.213695D+01
      4   0.210495D+02 -0.397885D+01  0.177301D+02  0.121556D+02 -0.420115D+01
      5  -0.119740D+01  0.811970D+01 -0.117253D+01 -0.679780D+01  0.107863D+01
      6  -0.282958D+01  0.561159D+01 -0.247292D+01 -0.105768D+02  0.665372D+01
               106           107           108           109           110 
      1  -0.163705D+01  0.108045D+02 -0.179440D+01  0.113172D+02 -0.145005D+02
      2   0.409266D+00 -0.169430D+02 -0.227392D+01 -0.783481D+01  0.107095D+02
      3   0.122778D+01  0.613849D+01  0.406833D+01 -0.348243D+01  0.379098D+01
      4  -0.729793D+01 -0.967882D+01  0.621747D+01 -0.128715D+02 -0.143759D+02
      5   0.857212D+01  0.337513D+01 -0.350798D+01  0.795242D+01 -0.109381D+00
      6   0.751418D+01  0.961152D+01 -0.754472D+01 -0.178624D+01  0.541894D+01
               111           112           113           114           115 
      1   0.777132D+01 -0.152020D+02 -0.183289D+02  0.230893D+01  0.114819D+02
      2  -0.208213D+01  0.110033D+02  0.627011D+01 -0.531839D+01 -0.420867D+01
      3  -0.568919D+01  0.419865D+01  0.120588D+02  0.300946D+01 -0.727319D+01
      4  -0.212928D+01 -0.236433D+02  0.758047D+01  0.211511D+02 -0.399883D+01
      5  -0.852160D+01 -0.125701D+01  0.243458D+02  0.131027D+02 -0.247625D+02
      6   0.303134D+01  0.885135D+01 -0.852802D+01 -0.933854D+01  0.793478D+01
               116           117           118           119           120 
      1   0.225489D+01 -0.100282D+02  0.118510D+01 -0.241827D+00 -0.445218D+01
      2  -0.305484D+01  0.380865D+01 -0.452230D+01  0.219359D+00  0.130494D+01
      3   0.799949D+00  0.621950D+01  0.333720D+01  0.224687D-01  0.314724D+01
      4   0.193723D+02  0.165241D+02 -0.265838D+00  0.125135D+01  0.101621D+01
      5   0.162099D+02 -0.298793D+01 -0.357498D+01  0.128836D+00  0.559393D+01
      6  -0.151998D+02 -0.375961D+01  0.466369D+00  0.611725D+00 -0.158711D+00
               121           122           123           124           125 
      1   0.187093D+00 -0.517885D+01  0.684814D+00 -0.389052D+01  0.849889D+00
      2  -0.371142D+00  0.716783D+00  0.158497D+01  0.442404D+01  0.862563D+00
      3   0.184048D+00  0.446207D+01 -0.226978D+01 -0.533525D+00 -0.171245D+01
      4   0.123341D+01  0.167001D+01 -0.209962D+01  0.995138D+00 -0.234726D+01
      5  -0.503165D+00 -0.264376D+01  0.192165D+01  0.666694D+01  0.110127D+01
      6   0.169534D+00 -0.302645D+00  0.696050D+01  0.489491D+00  0.498644D+01
               126           127           128           129           130 
      1  -0.211544D+02  0.104908D+02 -0.638879D+01 -0.278178D+01 -0.601266D+00
      2  -0.181587D+02  0.473046D+00  0.175217D+02  0.380502D+01  0.932336D+01
      3   0.393132D+02 -0.109638D+02 -0.111329D+02 -0.102324D+01 -0.872210D+01
      4   0.157359D+01  0.162112D+02  0.213984D+02 -0.299371D+01  0.186534D+02
      5  -0.200741D+02 -0.228876D+01  0.666197D+00  0.715213D+01 -0.382983D+00
      6   0.242328D+01 -0.360179D+01  0.173401D+01  0.536683D+01  0.262893D+00
               131           132           133           134           135 
      1   0.967857D+01  0.969182D+01 -0.397440D+01  0.158900D+02  0.769621D+00
      2  -0.711403D+01 -0.127375D+02  0.352199D+00 -0.275896D+02 -0.551312D+01
      3  -0.256453D+01  0.304572D+01  0.362220D+01  0.116996D+02  0.474350D+01
      4   0.118976D+02 -0.511220D+01 -0.837210D+01 -0.143754D+02  0.439075D+01
      5  -0.648166D+01  0.409130D+00  0.747551D+01  0.852203D+00 -0.419613D+01
      6  -0.174552D+02  0.385232D+01  0.613287D+01  0.395034D+01 -0.944216D+01
               136           137           138           139           140 
      1   0.175788D+01 -0.423580D+00  0.210333D+01 -0.117246D+01 -0.202841D+01
      2  -0.495069D+01  0.581667D+00 -0.265767D+01  0.199830D+01 -0.918343D+00
      3   0.319280D+01 -0.158087D+00  0.554335D+00 -0.825840D+00  0.294675D+01
      4   0.115768D+01  0.327692D+01  0.330188D+01  0.306694D+01  0.602146D+00
      5   0.543346D+01  0.885554D+00  0.902763D+01 -0.433315D+00  0.303591D+01
      6   0.347805D+01  0.891593D+00  0.242037D+01  0.892443D+00  0.257228D+01
               141           142           143           144           145 
      1  -0.139457D+01  0.559389D+00 -0.274275D+01 -0.139276D+02  0.221381D+02
      2   0.382726D+01 -0.389052D+01  0.348587D+01 -0.176694D+02 -0.434113D+01
      3  -0.243269D+01  0.333113D+01 -0.743120D+00  0.315970D+02 -0.177969D+02
      4   0.243069D+01  0.506750D+01  0.498338D+01  0.205400D+01 -0.343011D+02
      5  -0.186322D+01  0.922527D+01  0.167139D+01  0.209159D+02 -0.579063D+01
      6   0.466293D+01  0.387494D+01  0.569655D+01  0.199742D+02  0.184275D+01
               146           147           148           149           150 
      1  -0.290383D+01 -0.378545D+00 -0.161032D+01  0.114628D+01  0.311909D+00
      2  -0.663254D+01 -0.347798D-01 -0.301941D+01  0.384285D+01 -0.292218D+00
      3   0.953637D+01  0.413325D+00  0.462974D+01 -0.498913D+01 -0.196908D-01
      4   0.182361D+02  0.323638D+01  0.984271D+01 -0.676451D+01 -0.641309D+00
      5   0.267990D+01  0.423091D+01  0.106960D+01 -0.439348D+00 -0.148845D+01
      6  -0.260214D+01 -0.472180D+01 -0.109142D+01  0.332278D+00  0.148986D+01
               151           152           153           154           155 
      1   0.109269D+01  0.250989D+00  0.790561D+00  0.281352D+02  0.130142D+02
      2   0.107166D-01 -0.851483D+00 -0.958193D+00 -0.142521D+02 -0.639200D+01
      3  -0.110341D+01  0.600494D+00  0.167632D+00 -0.138831D+02 -0.662224D+01
      4  -0.104192D+01  0.623793D+00 -0.327676D+01  0.139563D+02  0.130566D+02
      5   0.431794D+01 -0.198972D+01 -0.108532D+01 -0.539477D+01 -0.309481D+01
      6  -0.306116D+01  0.274317D+01  0.156296D+01 -0.113737D+01 -0.715671D+00
               156           157           158           159           160 
      1  -0.448245D+01  0.239735D+02  0.127264D+02 -0.354180D+01 -0.827081D+01
      2   0.214430D+01 -0.119712D+02 -0.443746D+01  0.185124D+01  0.495333D+01
      3   0.233815D+01 -0.120022D+02 -0.828895D+01  0.169056D+01  0.331748D+01
      4  -0.268219D+01  0.173683D+02  0.185902D+02 -0.458446D+01 -0.474509D+01
      5   0.610159D+01 -0.496061D+01 -0.517463D+01  0.537674D+01  0.802820D+01
      6   0.792837D+00 -0.158031D+01 -0.144575D+01  0.129917D+01  0.173392D+01
               161           162           163           164           165 
      1  -0.413804D+01  0.464519D+01 -0.204621D+01  0.781853D+01  0.570928D+00
      2   0.238195D+01 -0.361265D+01  0.358325D+01 -0.116515D+02 -0.157837D+01
      3   0.175608D+01 -0.103254D+01 -0.153704D+01  0.383293D+01  0.100744D+01
      4  -0.572360D+01  0.377972D+01 -0.153236D+01  0.635826D+00  0.105085D+01
      5   0.426650D+01 -0.320083D+01  0.594823D+00 -0.100613D+01 -0.876754D+00
      6   0.224894D+01 -0.130613D+01  0.139455D+01  0.408481D-01 -0.133230D+01
               166           167           168           169           170 
      1   0.376503D+01 -0.248471D+02 -0.221573D+01  0.105601D+01 -0.651983D+01
      2  -0.313867D+01  0.434330D+02  0.532447D+01 -0.974644D+00  0.110532D+02
      3  -0.626356D+00 -0.185858D+02 -0.310874D+01 -0.813671D-01 -0.453334D+01
      4   0.514341D+01  0.115261D+02  0.100076D+01  0.188858D+01  0.362542D+01
      5  -0.109654D+01  0.301652D+01  0.254623D+01  0.532374D+00  0.221808D+01
      6  -0.610662D+00  0.117401D+01  0.572163D+01 -0.635246D+00  0.622768D+01
               171           172           173           174           175 
      1  -0.433683D+01  0.288683D+02  0.871017D+01  0.386967D+01  0.117172D+02
      2   0.470647D+01 -0.176416D+02 -0.728412D+01 -0.551293D+01 -0.938050D+01
      3  -0.369645D+00 -0.112267D+02 -0.142604D+01  0.164326D+01 -0.233667D+01
      4   0.104813D+01 -0.329392D+01  0.135408D+02 -0.628117D+01  0.130674D+02
      5   0.640143D+00  0.153752D+02 -0.389313D+01  0.187882D+02 -0.187658D+01
      6   0.173859D+01 -0.266041D+00  0.733375D+01 -0.631758D+01  0.568408D+01
               176           177           178           179           180 
      1   0.126561D+02 -0.438716D+01  0.517638D+01 -0.622120D+01  0.701371D+01
      2  -0.527925D+01  0.161471D+01 -0.640172D+01  0.241401D+01 -0.170345D+02
      3  -0.737685D+01  0.277245D+01  0.122534D+01  0.380718D+01  0.100208D+02
      4   0.188727D+01  0.342799D+01 -0.600804D+01  0.239414D+00 -0.836768D+01
      5   0.448150D+01  0.344173D+01  0.275863D+02 -0.760699D+01  0.280392D+02
      6   0.293617D+01  0.193288D+01 -0.822809D+01  0.950730D+01 -0.418021D+01
               181           182           183           184           185 
      1   0.321580D+02  0.159782D+02 -0.689921D+01  0.243952D+02  0.132858D+02
      2  -0.173455D+02 -0.858591D+01  0.409381D+01 -0.135900D+02 -0.496150D+01
      3  -0.148125D+02 -0.739232D+01  0.280540D+01 -0.108052D+02 -0.832432D+01
      4   0.149012D+02  0.131153D+02 -0.258525D+01  0.160458D+02  0.207805D+02
      5  -0.106629D+02 -0.450823D+01  0.932744D+01 -0.695801D+01 -0.985685D+01
      6  -0.146076D+01 -0.248851D+01  0.196842D+00 -0.302058D+01 -0.261571D+01
               186           187           188           189           190 
      1  -0.393443D+01 -0.755730D+01 -0.198256D+01  0.647531D+01  0.125083D+02
      2   0.340596D+01  0.536956D+01  0.233985D+01 -0.548244D+01 -0.432665D+01
      3   0.528471D+00  0.218775D+01 -0.357291D+00 -0.992876D+00 -0.818166D+01
      4  -0.798195D+01 -0.226152D+01 -0.636195D+01  0.467756D+01 -0.132629D+02
      5   0.809243D+01  0.120957D+02  0.618398D+01 -0.631177D+01 -0.124299D+02
      6   0.256113D+01  0.807127D+00  0.358263D+01 -0.178020D+01  0.569093D+01
               191           192           193           194           195 
      1  -0.773305D+01 -0.825856D+01 -0.107534D+02  0.397698D+01  0.105671D+00
      2   0.174550D+01  0.406682D+01  0.129419D+01  0.867462D+01  0.286209D+01
      3   0.598755D+01  0.419174D+01  0.945917D+01 -0.126516D+02 -0.296776D+01
      4   0.140450D+02  0.695595D+01  0.236219D+02 -0.327347D+02 -0.173064D+02
      5   0.657657D+01  0.967588D+01  0.114951D+02 -0.185527D+02 -0.189908D+02
      6  -0.408276D+01 -0.374304D+01 -0.787726D+01  0.152419D+02  0.133783D+02
               196           197           198           199           200 
      1  -0.899080D+01  0.136678D+00  0.166018D+01 -0.146957D+01  0.903710D+01
      2   0.520991D+01  0.128633D+01 -0.257955D+01  0.342128D+01 -0.123963D+02
      3   0.378089D+01 -0.142301D+01  0.919363D+00 -0.195170D+01  0.335916D+01
      4   0.104194D+02 -0.151387D+02 -0.159037D+02  0.109272D+01  0.290669D+01
      5   0.158422D+02 -0.166265D+02 -0.222997D+02  0.741153D+00 -0.307167D+00
      6  -0.696970D+01  0.125083D+02  0.133633D+02  0.199946D+01 -0.341424D+01
               201           202           203           204           205 
      1   0.233125D+01  0.314450D+01 -0.292173D+02 -0.665024D+01  0.163475D+01
      2  -0.298352D+01 -0.126476D+01  0.509466D+02  0.107850D+02 -0.922445D+00
      3   0.652273D+00 -0.187974D+01 -0.217292D+02 -0.413475D+01 -0.712307D+00
      4   0.117187D+01  0.599787D+01  0.175939D+02  0.312183D+01  0.278425D+01
      5  -0.127165D-01  0.845067D-01  0.560711D+01  0.388075D+01  0.971204D+00
      6  -0.230707D+01 -0.312075D+00  0.137208D+02  0.903635D+01 -0.334407D+00
               206           207           208           209           210 
      1  -0.135112D+02 -0.762184D+01 -0.118350D+02 -0.101074D+02  0.708788D+01
      2   0.208965D+02  0.937170D+01  0.754593D+01  0.673563D+01 -0.223927D+01
      3  -0.738528D+01 -0.174985D+01  0.428910D+01  0.337182D+01 -0.484861D+01
      4   0.774657D+01  0.303704D+01 -0.419428D+00 -0.504142D+01  0.253748D+01
      5   0.514195D+01  0.255696D+01 -0.909050D+00  0.139752D+01 -0.568389D+01
      6   0.135077D+02  0.706032D+01 -0.315511D+01 -0.571034D+01  0.556429D+01
               211           212           213           214           215 
      1  -0.124395D+02 -0.135733D+02  0.724985D+01  0.559700D+01  0.571555D+01
      2   0.764747D+01  0.120531D+02 -0.488485D+01 -0.250171D+01 -0.305606D+01
      3   0.479201D+01  0.152016D+01 -0.236500D+01 -0.309529D+01 -0.265949D+01
      4   0.342728D+00 -0.104785D+02  0.589409D+01  0.401193D+00  0.458131D+01
      5  -0.121078D+01  0.472289D+01 -0.713612D+01  0.911772D+00 -0.288310D+01
      6  -0.310493D+01 -0.952218D+01  0.778024D+01  0.219893D+01  0.609012D+01
               216 
      1  -0.719942D+01
      2   0.158342D+01
      3   0.561600D+01
      4  -0.252296D+01
      5   0.602655D+01
      6  -0.573593D+01
 Leave Link  716 at Mon Sep 27 12:09:18 2021, MaxMem=  6442450944 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.107458D+03  0.956585D+00 -0.170479D+01
      2   0.956585D+00  0.100890D+03  0.115312D+00
      3  -0.170479D+01  0.115312D+00  0.851294D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.188846D+01 -0.849260D+01 -0.141170D+01
      2   0.110672D+02 -0.333554D+01  0.136503D+02
      3   0.300766D+01 -0.795460D+01  0.163387D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.202311D+02 -0.134626D+02  0.114781D+02
      2  -0.219213D+02  0.121412D+02  0.845622D+01
      3   0.169018D+01  0.132140D+01 -0.199344D+02
      4  -0.129345D+02 -0.705860D+01 -0.102654D+02
      5  -0.870993D+01 -0.941746D+01  0.279464D+02
      6  -0.740021D+01 -0.101057D+02 -0.419143D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.398181D+01  0.612912D+00  0.407329D-02 -0.138371D+00  0.258500D+01
      2   0.612912D+00  0.296128D+01  0.815572D-01  0.258500D+01 -0.102821D+01
      3   0.407329D-02  0.815572D-01  0.100435D+01  0.427172D+00 -0.150280D+01
                 6             7             8             9            10 
      1   0.427172D+00 -0.338401D+00  0.388045D+00  0.136825D+01  0.385323D+01
      2  -0.150280D+01  0.388045D+00 -0.242048D+01 -0.126563D+01 -0.537597D+00
      3  -0.352544D+00  0.136825D+01 -0.126563D+01  0.731004D+01  0.288130D+00
                11            12            13            14            15 
      1  -0.537597D+00  0.288130D+00 -0.911816D+00 -0.288554D+01 -0.235656D+00
      2  -0.264256D+01 -0.118969D+00 -0.288554D+01 -0.360110D+00  0.107696D+01
      3  -0.118969D+00 -0.239947D+01 -0.235656D+00  0.107696D+01  0.153117D+01
                16            17            18            19            20 
      1   0.997055D+00 -0.344863D+00 -0.151451D+01  0.338889D+01 -0.478123D+00
      2  -0.344863D+00  0.155353D+01  0.979557D+00 -0.478123D+00 -0.278522D+01
      3  -0.151451D+01  0.979557D+00 -0.701066D+01  0.193675D+00  0.321578D+00
                21            22            23            24            25 
      1   0.193675D+00 -0.737387D+00 -0.327695D+01  0.130358D+00  0.622640D+00
      2   0.321578D+00 -0.327695D+01  0.109867D+01  0.153020D+01  0.463215D+00
      3  -0.928191D+00  0.130358D+00  0.153020D+01  0.134857D+01 -0.154665D+01
                26            27            28            29            30 
      1   0.463215D+00 -0.154665D+01 -0.248519D+01  0.189459D+01 -0.816297D+00
      2   0.217098D+01  0.100051D+01  0.189459D+01  0.232751D+01  0.943758D-02
      3   0.100051D+01 -0.680396D+01 -0.816297D+00  0.943758D-02  0.328027D+00
                31            32            33            34            35 
      1   0.232752D+01  0.342703D+01  0.714748D+00 -0.205479D+01  0.501531D+00
      2   0.342703D+01 -0.138149D+01 -0.176041D+01  0.501531D+00 -0.206723D+01
      3   0.714748D+00 -0.176041D+01 -0.171155D+01  0.355652D+00 -0.719418D+00
                36            37            38            39            40 
      1   0.355652D+00  0.532601D+01 -0.136157D+01 -0.780554D-01 -0.312802D+01
      2  -0.719418D+00 -0.136157D+01  0.207907D+00 -0.328222D+00 -0.969121D+00
      3   0.670203D+01 -0.780554D-01 -0.328222D+00 -0.378195D+00 -0.200904D+00
                41            42            43            44            45 
      1  -0.969121D+00 -0.200904D+00  0.221323D+01  0.473616D+00  0.179367D+00
      2  -0.368005D+01  0.783798D+00  0.473616D+00  0.135425D+01 -0.509993D+00
      3   0.783798D+00  0.717864D+00  0.179367D+00 -0.509993D+00 -0.739505D+00
                46            47            48            49            50 
      1  -0.430203D+01 -0.960820D+00  0.402841D-01  0.112546D+01  0.264648D+01
      2  -0.960820D+00  0.124829D+01  0.570046D+00  0.264648D+01 -0.104617D+01
      3   0.402841D-01  0.570046D+00  0.147176D+01 -0.824286D-01 -0.112069D+01
                51            52            53            54            55 
      1  -0.824286D-01 -0.930262D+00 -0.657409D-01  0.167089D+01  0.487000D+01
      2  -0.112069D+01 -0.657409D-01 -0.182757D+01 -0.818113D+00 -0.253158D-01
      3  -0.202641D+01  0.167089D+01 -0.818113D+00  0.688639D+01  0.487099D+00
                56            57            58            59            60 
      1  -0.253158D-01  0.487099D+00  0.848886D+00 -0.147054D+01 -0.363826D+00
      2   0.552825D+00  0.259402D+00 -0.147054D+01  0.671774D+01  0.185322D+01
      3   0.259402D+00  0.518603D+00 -0.363826D+00  0.185322D+01  0.266571D+00
                61            62            63            64            65 
      1   0.133325D+01 -0.800384D+00 -0.729743D+00 -0.131325D+00  0.130901D+00
      2  -0.800384D+00  0.280921D+01  0.199026D+01  0.130901D+00 -0.873037D+00
      3  -0.729743D+00  0.199026D+01  0.784091D+00 -0.120249D+01  0.180751D+00
                66            67            68            69            70 
      1  -0.120249D+01  0.263706D+00 -0.767474D+00  0.147530D+00 -0.188816D+01
      2   0.180751D+00 -0.767474D+00  0.788835D+00 -0.109417D+01  0.324421D+00
      3  -0.807592D+00  0.147530D+00 -0.109417D+01  0.620234D+00 -0.100573D+01
                71            72            73            74            75 
      1   0.324421D+00 -0.100573D+01 -0.667151D+01  0.208309D+01 -0.330742D+00
      2  -0.174119D+01  0.102344D+01  0.208309D+01  0.866132D+00 -0.465654D+00
      3   0.102344D+01 -0.703578D+01 -0.330742D+00 -0.465654D+00  0.711823D+00
                76            77            78            79            80 
      1   0.480575D+01  0.436646D+00 -0.571544D+00 -0.244478D+01 -0.606193D+00
      2   0.436646D+00  0.338085D+01 -0.971708D+00 -0.606193D+00 -0.137905D+01
      3  -0.571544D+00 -0.971708D+00  0.595812D+00 -0.928780D+00  0.409892D+00
                81            82            83            84            85 
      1  -0.928780D+00 -0.817043D-01 -0.313707D-01  0.119784D+01 -0.164104D+00
      2   0.409892D+00 -0.313707D-01  0.601524D+00 -0.288954D-01  0.578030D+00
      3   0.831843D-02  0.119784D+01 -0.288954D-01  0.738060D+00 -0.223168D-01
                86            87            88            89            90 
      1   0.578030D+00 -0.223168D-01  0.190285D+01  0.130329D+00  0.207221D-01
      2  -0.524328D+00  0.925958D+00  0.130329D+00  0.143194D+01 -0.672422D+00
      3   0.925958D+00 -0.832088D+00  0.207221D-01 -0.672422D+00  0.754596D+01
                91            92            93            94            95 
      1   0.395458D+00 -0.671456D-01  0.115049D+01  0.475401D-01  0.898833D+00
      2  -0.671456D-01  0.904147D+00  0.564769D-01  0.898833D+00 -0.244822D+00
      3   0.115049D+01  0.564769D-01  0.673311D+00  0.579265D-01  0.924025D+00
                96            97            98            99           100 
      1   0.579265D-01  0.202416D+01 -0.928443D-01  0.116747D+01  0.372790D+01
      2   0.924025D+00 -0.928443D-01  0.159116D+01  0.972203D-02  0.194086D+01
      3  -0.156361D+00  0.116747D+01  0.972203D-02  0.664403D+01 -0.117913D+01
               101           102           103           104           105 
      1   0.194086D+01 -0.117913D+01  0.799376D+00  0.334945D+01 -0.864919D-01
      2   0.418595D+01 -0.471493D-01  0.334945D+01 -0.524794D+00 -0.177479D+01
      3  -0.471493D-01  0.629481D+00 -0.864919D-01 -0.177479D+01 -0.780297D+00
               106           107           108           109           110 
      1  -0.160756D+01 -0.625581D+00  0.146672D+01  0.285707D+01 -0.221183D+01
      2  -0.625581D+00 -0.355579D+01  0.801705D+00 -0.221183D+01 -0.252762D+01
      3   0.146672D+01  0.801705D+00 -0.665969D+00  0.163027D+01 -0.254931D+00
               111           112           113           114           115 
      1   0.163027D+01 -0.192218D+01 -0.404101D+01 -0.641016D+00  0.308497D+01
      2  -0.254931D+00 -0.404101D+01  0.961495D+00  0.360733D+01 -0.902166D+00
      3  -0.868411D+00 -0.641016D+00  0.360733D+01  0.186783D+01 -0.284551D+01
               116           117           118           119           120 
      1  -0.902166D+00 -0.284551D+01  0.459979D+00 -0.168154D+00 -0.135930D+01
      2   0.384999D+01  0.252557D+01 -0.168154D+00 -0.403558D+00  0.549489D-01
      3   0.252557D+01 -0.680849D+00 -0.135930D+01  0.549489D-01 -0.256926D+00
               121           122           123           124           125 
      1  -0.103033D+00 -0.358116D+00 -0.165827D+00 -0.188631D+01 -0.243838D+00
      2  -0.358116D+00  0.616941D+00 -0.108888D+01 -0.243838D+00 -0.132684D+01
      3  -0.165827D+00 -0.108888D+01  0.561769D+00  0.463612D+00  0.337334D+00
               126           127           128           129           130 
      1   0.463612D+00 -0.257913D+01 -0.182396D+01  0.860400D+00 -0.145102D+01
      2   0.337334D+00 -0.182396D+01 -0.327870D+01 -0.248258D+00 -0.238649D+01
      3  -0.825470D+01  0.860400D+00 -0.248258D+00 -0.393399D+00 -0.597259D-01
               131           132           133           134           135 
      1  -0.238649D+01 -0.597259D-01  0.181322D+01  0.571592D+00 -0.118897D+01
      2   0.128978D+01  0.230363D+01  0.571592D+00  0.497751D+01 -0.199098D+00
      3   0.230363D+01  0.102486D+01 -0.118897D+01 -0.199098D+00  0.113288D+01
               136           137           138           139           140 
      1  -0.447623D+00 -0.478051D-02 -0.137242D+01  0.863087D-01 -0.625163D+00
      2  -0.478051D-02 -0.398934D+00 -0.263619D+00 -0.625163D+00  0.711409D-01
      3  -0.137242D+01 -0.263619D+00 -0.880147D+00  0.424300D-01 -0.101276D+01
               141           142           143           144           145 
      1   0.424300D-01 -0.225920D+01 -0.511552D+00 -0.140731D+01 -0.698025D+01
      2  -0.101276D+01 -0.511552D+00 -0.152488D+01 -0.459576D+00  0.254212D+01
      3   0.397300D+00 -0.140731D+01 -0.459576D+00 -0.754741D+01  0.586993D+00
               146           147           148           149           150 
      1   0.254212D+01  0.586993D+00  0.128014D+01 -0.112289D+01 -0.136774D+00
      2  -0.273713D+01 -0.518238D+00 -0.112289D+01  0.112388D+01 -0.145134D-01
      3  -0.518238D+00 -0.110656D+01 -0.136774D+00 -0.145134D-01  0.415328D+00
               151           152           153           154           155 
      1  -0.196750D+00  0.244496D-01 -0.629843D+00 -0.441280D+01 -0.205943D+01
      2   0.244496D-01 -0.195228D+00  0.444282D+00 -0.205943D+01 -0.199142D+01
      3  -0.629843D+00  0.444282D+00  0.398329D+00  0.663104D+00  0.395649D+00
               156           157           158           159           160 
      1   0.663104D+00 -0.403625D+01 -0.238555D+01  0.586759D+00  0.149661D+01
      2   0.395649D+00 -0.238555D+01 -0.304039D+01  0.660768D+00  0.769105D+00
      3  -0.974364D+00  0.586759D+00  0.660768D+00 -0.810076D+00 -0.106311D+01
               161           162           163           164           165 
      1   0.769105D+00 -0.106311D+01 -0.643403D+00  0.641982D+00  0.333982D+00
      2   0.986760D+00 -0.564083D+00  0.641982D+00 -0.183245D+01 -0.120307D+00
      3  -0.564083D+00  0.491821D+00  0.333982D+00 -0.120307D+00 -0.256019D+00
               166           167           168           169           170 
      1   0.134259D+01 -0.139723D+00 -0.175483D+00  0.589033D+00 -0.384078D-01
      2  -0.139723D+00  0.726919D+01  0.703277D+00 -0.384078D-01  0.193484D+01
      3  -0.175483D+00  0.703277D+00  0.122373D+01 -0.828481D-01  0.997393D+00
               171           172           173           174           175 
      1  -0.828481D-01  0.344865D+01  0.781972D+00  0.160017D+01  0.159117D+01
      2   0.997393D+00  0.781972D+00  0.196102D+01 -0.107008D+01  0.191640D+01
      3   0.253872D+00  0.160017D+01 -0.107008D+01  0.225848D+01 -0.562456D+00
               176           177           178           179           180 
      1   0.191640D+01 -0.562456D+00  0.116048D+01 -0.642309D+00  0.326938D+01
      2   0.146897D+01  0.185883D+00 -0.642309D+00 -0.535503D+00 -0.872088D+00
      3   0.185883D+00  0.113722D+01  0.326938D+01 -0.872088D+00  0.402422D+01
               181           182           183           184           185 
      1   0.426329D+01  0.231298D+01 -0.111350D+01  0.372588D+01  0.233727D+01
      2   0.231298D+01  0.187446D+01 -0.360559D+00  0.233727D+01  0.349832D+01
      3  -0.111350D+01 -0.360559D+00  0.109671D+01 -0.552226D+00 -0.129007D+01
               186           187           188           189           190 
      1  -0.552226D+00 -0.144620D+01 -0.340525D+00  0.140314D+01  0.209758D+01
      2  -0.129007D+01 -0.340525D+00 -0.107881D+01  0.776001D+00 -0.151498D+01
      3   0.108135D+01  0.140314D+01  0.776001D+00 -0.805595D+00 -0.158669D+01
               191           192           193           194           195 
      1  -0.151498D+01 -0.158669D+01 -0.273256D+01  0.311938D+01  0.132750D+01
      2   0.154227D+01  0.672404D+00  0.311938D+01 -0.524947D+01 -0.275013D+01
      3   0.672404D+00  0.987110D+00  0.132750D+01 -0.275013D+01 -0.286518D+01
               196           197           198           199           200 
      1  -0.223030D+01  0.132610D+01  0.188897D+01 -0.123996D+00 -0.732843D+00
      2   0.132610D+01 -0.250720D+01 -0.252846D+01 -0.732843D+00  0.174233D+01
      3   0.188897D+01 -0.252846D+01 -0.344836D+01 -0.308137D+00  0.373497D+00
               201           202           203           204           205 
      1  -0.308137D+00 -0.106802D+01 -0.125640D+00  0.111346D+00 -0.619545D+00
      2   0.373497D+00 -0.125640D+00 -0.835982D+01 -0.163092D+01 -0.748321D-01
      3   0.263609D+00  0.111346D+00 -0.163092D+01 -0.147349D+01  0.419358D-01
               206           207           208           209           210 
      1  -0.748321D-01  0.419358D-01 -0.184728D+01 -0.963499D+00  0.310253D+00
      2  -0.376572D+01 -0.176614D+01 -0.963499D+00 -0.150502D+01  0.849132D+00
      3  -0.176614D+01 -0.100612D+01  0.310253D+00  0.849132D+00 -0.143206D+01
               211           212           213           214           215 
      1  -0.185159D+01 -0.740324D+00  0.310908D+00  0.664778D+00  0.316832D+00
      2  -0.740324D+00 -0.284615D+01  0.145677D+01  0.316832D+00  0.126531D+01
      3   0.310908D+00  0.145677D+01 -0.178161D+01 -0.353112D+00 -0.920650D+00
               216 
      1  -0.353112D+00
      2  -0.920650D+00
      3   0.181695D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.999552D-01  0.181404D+00 -0.207388D+01 -0.634734D+00  0.898218D+00
      2  -0.301846D+00 -0.719902D-01  0.136313D+00  0.406873D+00  0.170688D+01
      3  -0.296431D+01 -0.671128D+00 -0.255654D+00  0.492186D+01  0.186333D+01
                 6             7             8             9            10 
      1   0.662070D+00 -0.139495D+01  0.456143D+01 -0.677415D+01 -0.368209D+00
      2   0.102634D+01 -0.392918D+01  0.654937D+00 -0.499529D+01 -0.208253D+01
      3  -0.714159D+00  0.744973D-01 -0.160823D+01  0.313099D+00 -0.123616D+01
                11            12            13            14            15 
      1  -0.130904D+01 -0.566238D+00  0.119772D+00 -0.380456D-01 -0.201318D+01
      2  -0.552115D+00  0.298891D+01 -0.380047D-01 -0.167933D+01 -0.270451D+01
      3  -0.615912D+01 -0.217732D+00 -0.264470D+00  0.386037D+00  0.194275D+01
                16            17            18            19            20 
      1  -0.818534D+00  0.374850D+01 -0.123596D+01 -0.359916D+00 -0.192395D+00
      2  -0.149851D+01 -0.148551D+01  0.993270D+01 -0.208704D+00  0.880056D+00
      3  -0.378640D+00  0.233645D+01  0.193918D+01  0.360345D+01 -0.131276D+01
                21            22            23            24            25 
      1   0.249647D+01 -0.648992D-01 -0.199267D+01 -0.229288D+01  0.229925D+01
      2   0.120560D+01 -0.748352D+00  0.822343D+00 -0.371153D+00 -0.476192D+01
      3  -0.416439D-01  0.462941D+01 -0.487220D+01 -0.208102D+01  0.305062D+00
                26            27            28            29            30 
      1   0.212950D+01  0.566952D+01 -0.181899D+01 -0.729024D+00  0.984415D+00
      2   0.595346D+00 -0.305685D+01 -0.719221D+01  0.326038D+01 -0.307151D+00
      3  -0.124634D+01 -0.264623D+01 -0.565704D+01 -0.814641D+01 -0.785816D+00
                31            32            33            34            35 
      1  -0.893059D+00  0.527656D+00  0.146488D+01 -0.165857D+00  0.412427D+01
      2   0.237541D+01 -0.139252D+01 -0.362398D+01 -0.518684D+01  0.843211D-01
      3  -0.452324D+01  0.160512D+01  0.345444D+01 -0.342261D-01  0.306805D+01
                36            37            38            39            40 
      1  -0.335099D+00  0.132559D+01 -0.399118D-01 -0.159536D+01  0.141690D+01
      2   0.107852D+02  0.311116D+01 -0.670290D+00  0.868500D+01 -0.194033D+01
      3   0.202271D+01 -0.797928D+01 -0.461242D+01  0.164364D+00  0.140489D+02
                41            42            43            44            45 
      1   0.223201D+01 -0.554763D+01  0.182321D+01  0.186652D+01  0.104531D+01
      2  -0.116832D+01  0.168750D+01 -0.484221D+01 -0.120589D+01  0.245804D+00
      3   0.491060D+01 -0.433176D+00 -0.267755D+01 -0.122829D+01 -0.380597D+00
                46            47            48            49            50 
      1   0.673080D+00 -0.780508D+00  0.211338D+01 -0.979066D+00 -0.244953D+01
      2  -0.238361D+01 -0.127604D+01 -0.506768D+01 -0.246692D+00  0.286055D+01
      3   0.504643D+01  0.434644D+01 -0.549370D-01  0.306231D+01 -0.224581D+01
                51            52            53            54            55 
      1  -0.104522D+01  0.741716D+00  0.194026D+01  0.760718D+01 -0.918846D+00
      2   0.156557D+01 -0.623505D+01 -0.387052D+00 -0.866696D+01 -0.517810D+01
      3  -0.204205D+01  0.106321D+01 -0.152700D+01 -0.341720D+01  0.158225D+02
                56            57            58            59            60 
      1   0.221871D+00 -0.338504D+00  0.167536D+01 -0.213785D+01 -0.603986D+01
      2   0.193311D+01  0.189902D+01  0.276175D+00 -0.253513D+01 -0.159241D+01
      3  -0.283434D+01  0.598615D-01  0.543382D+01  0.635712D+01  0.101087D+01
                61            62            63            64            65 
      1   0.681433D+00  0.421010D+00 -0.300094D+01  0.117270D+01  0.325127D+00
      2  -0.347447D+01 -0.164665D+01 -0.146171D+01  0.971384D+00 -0.234874D+00
      3   0.303947D+01  0.253485D+01  0.108627D+01 -0.247601D-02 -0.151307D+01
                66            67            68            69            70 
      1   0.626328D+00  0.939216D-01  0.124377D+01 -0.902238D+00  0.872604D+00
      2   0.152461D+01  0.101404D+00  0.520728D+00 -0.112414D+00 -0.276530D+01
      3  -0.114819D+01  0.755929D+00 -0.264809D+00 -0.826165D+00 -0.242502D+01
                71            72            73            74            75 
      1   0.291229D+01  0.885400D+01  0.509601D+00  0.438535D-01  0.552146D+00
      2  -0.488832D+00  0.632771D+01  0.419047D+01  0.189974D+01  0.447986D+01
      3  -0.158969D+01 -0.143972D+00  0.864232D+01 -0.229726D+01 -0.199693D+01
                76            77            78            79            80 
      1  -0.953140D+00  0.991602D+00 -0.193111D+01  0.785775D+00  0.276794D+01
      2   0.168219D+01  0.285975D+01 -0.289656D+01 -0.163378D+01 -0.171152D+01
      3   0.719866D+01  0.147371D+02 -0.300773D+01 -0.218311D+01 -0.522410D+01
                81            82            83            84            85 
      1   0.352324D-01  0.129645D+00  0.802123D+00  0.114291D+00  0.462939D+00
      2   0.205410D+01 -0.287210D+01  0.232566D+00 -0.124926D+01  0.616379D+00
      3   0.135744D+01 -0.932138D-01  0.431320D-01 -0.287436D+00  0.175933D+01
                86            87            88            89            90 
      1  -0.367144D+00 -0.104443D+01  0.158023D+00  0.332802D+01  0.898304D+00
      2  -0.164986D+01  0.130013D+01 -0.423708D+01  0.846286D+00 -0.113862D+02
      3  -0.729374D+00  0.143070D+01 -0.386875D+00  0.201955D+01 -0.641655D+00
                91            92            93            94            95 
      1  -0.160728D+01  0.629801D+00 -0.855088D+00  0.336504D+00 -0.135242D+01
      2   0.211157D+00  0.375813D+00  0.475151D+00  0.703992D+00  0.228187D+00
      3   0.806666D+00 -0.162982D+01  0.122004D+01  0.319164D+00  0.818473D+00
                96            97            98            99           100 
      1  -0.174699D-02 -0.166193D+01  0.348038D+01 -0.735481D+01  0.217963D+01
      2  -0.351913D-01 -0.321795D+01  0.199821D+00  0.391933D+01 -0.278223D+00
      3  -0.650991D+00  0.221400D+01 -0.158313D+01  0.122002D+01  0.750574D+01
               101           102           103           104           105 
      1  -0.187042D+01 -0.335687D+01 -0.651806D+00  0.671659D+01 -0.168431D+01
      2  -0.251824D+00  0.417945D+01  0.890378D+00 -0.136449D+01  0.106566D+01
      3  -0.911779D+01 -0.237398D+01  0.216294D+00  0.931084D+01  0.279649D+01
               106           107           108           109           110 
      1  -0.260329D+01  0.462736D+01  0.335163D+01  0.291850D+01  0.132183D+01
      2  -0.137884D+01  0.791177D+00 -0.139894D+01  0.952947D+01 -0.336161D+01
      3  -0.441795D+01  0.488967D+01  0.198308D+01  0.676005D+01  0.760482D+01
               111           112           113           114           115 
      1  -0.962123D+00  0.152391D+01  0.144999D+01 -0.383485D+01 -0.123487D+01
      2   0.970866D+00 -0.396184D+01  0.821488D+01  0.556459D+01 -0.770553D+01
      3  -0.656813D-01  0.177387D+02 -0.580377D+00 -0.956817D+01  0.611592D+00
               116           117           118           119           120 
      1  -0.201037D+01 -0.221450D+01 -0.680778D-03  0.900339D+00  0.279443D+00
      2   0.672543D+01 -0.422983D+01 -0.225801D+01 -0.253673D+00 -0.538277D+00
      3  -0.101667D+02 -0.566969D+01  0.272022D+00  0.546018D-01  0.258444D+00
               121           122           123           124           125 
      1   0.183701D+00 -0.143470D+01  0.142181D+00  0.294662D+00  0.425453D+01
      2  -0.777671D-01 -0.204984D+01  0.810973D+00 -0.503441D+01  0.415535D+00
      3   0.209800D+01 -0.159766D+01  0.164562D+01  0.622436D+00  0.208787D+01
               126           127           128           129           130 
      1  -0.120366D+01  0.167922D+01 -0.405859D+00 -0.293260D+01  0.861839D+00
      2  -0.118756D+02 -0.215892D+01 -0.103441D+00  0.427888D+01  0.348834D+00
      3  -0.155916D+01  0.511530D+01 -0.690511D+01 -0.246732D+01  0.379287D+01
               131           132           133           134           135 
      1   0.985731D+01 -0.228388D+01 -0.195333D+01  0.504061D+01  0.530196D+01
      2  -0.420821D+01  0.394388D+00 -0.422309D+00  0.269487D+00 -0.247197D+01
      3   0.797844D+01  0.415057D+01 -0.497180D+01  0.792297D+01  0.294065D+01
               136           137           138           139           140 
      1  -0.202061D+01  0.117234D+00 -0.897470D+00  0.514587D+00 -0.167408D+01
      2   0.130379D+01  0.655392D+00  0.122020D+01  0.815170D+00  0.863544D+00
      3   0.101044D+01 -0.183792D+01  0.171860D+01 -0.205861D+00  0.151169D+01
               141           142           143           144           145 
      1   0.743638D+00 -0.894108D+00  0.446113D+01 -0.872234D+01 -0.175580D+00
      2  -0.916945D+00 -0.302837D+01 -0.111516D+00  0.905083D+01  0.431910D+01
      3  -0.114629D+01  0.293555D+01 -0.161071D+01  0.227287D+01 -0.172992D+02
               146           147           148           149           150 
      1  -0.177604D+00  0.266229D+01 -0.799340D-01  0.269344D+00 -0.779346D+00
      2  -0.935191D+00  0.236603D+01 -0.637670D+00  0.663591D+00 -0.692143D+00
      3   0.363392D+00  0.700846D+00  0.153192D+01 -0.210913D+01 -0.569481D+00
               151           152           153           154           155 
      1   0.127715D+01 -0.119841D+00 -0.655848D+00 -0.547219D-02  0.537908D-01
      2   0.466259D+00 -0.721546D+00 -0.322411D+00 -0.205347D+01 -0.143067D+01
      3  -0.936154D+00 -0.448976D+00 -0.631206D+00 -0.702083D+01 -0.751914D+01
               156           157           158           159           160 
      1  -0.610075D+00  0.256353D+00 -0.805854D+00 -0.770944D+00 -0.303779D+00
      2   0.333555D+01 -0.200673D+01 -0.237847D+01  0.325753D+01  0.213497D+01
      3   0.153550D+01 -0.712800D+01 -0.126403D+02  0.241859D+01  0.277509D+01
               161           162           163           164           165 
      1   0.726898D+00  0.330721D+00 -0.158986D+01  0.181913D+01  0.141883D+01
      2   0.176403D+01 -0.131062D+01  0.240385D+00 -0.248913D-01 -0.465544D+00
      3   0.382931D+01 -0.156061D+01 -0.461968D+01  0.470598D+01  0.170812D+01
               166           167           168           169           170 
      1   0.106296D+01 -0.620401D+01 -0.447680D+01  0.597784D+00 -0.287162D+01
      2  -0.354111D-01  0.732175D+00  0.113727D+01 -0.107276D+01  0.100949D+01
      3   0.546545D+01 -0.126660D+02 -0.206820D+01  0.267031D+01 -0.384482D+01
               171           172           173           174           175 
      1  -0.141451D+01  0.246254D+01  0.260551D+01  0.151804D+01  0.132019D+01
      2   0.322336D+00 -0.293409D+00 -0.549945D+01  0.113142D+02 -0.400933D+01
      3  -0.175888D+01 -0.734158D+01 -0.999418D+01  0.269482D+01 -0.575186D+01
               176           177           178           179           180 
      1   0.332014D+01 -0.331232D+01  0.639786D+00  0.464998D+01  0.514934D+01
      2  -0.183169D+01  0.372620D+01  0.394904D+01 -0.605400D+00  0.133927D+02
      3  -0.550534D+01  0.126935D+00  0.139320D+01  0.107603D+01 -0.740315D-01
               181           182           183           184           185 
      1  -0.201249D+01 -0.155085D+01 -0.257569D+00 -0.171682D+01 -0.316686D+01
      2  -0.809481D+00  0.144612D+00  0.379035D+01  0.999369D+00 -0.260057D+01
      3  -0.829159D+01 -0.800379D+01  0.168430D+01 -0.694468D+01 -0.140425D+02
               186           187           188           189           190 
      1   0.481642D-01  0.423857D+00  0.220551D+01 -0.659007D+00  0.119785D+00
      2   0.392562D+01  0.198171D+01  0.211592D+01 -0.140053D+01 -0.317460D+01
      3   0.425892D+01  0.144628D+01  0.380430D+01 -0.293631D+01  0.248311D+01
               191           192           193           194           195 
      1  -0.107866D+01  0.754839D+00 -0.131419D+01  0.300072D+01 -0.209015D+01
      2   0.120442D+01  0.256411D+01  0.101562D+01 -0.579644D+01 -0.842239D+01
      3  -0.470227D+01 -0.103939D+01 -0.463813D+01  0.136321D+02  0.693298D+01
               196           197           198           199           200 
      1   0.417780D+00  0.133295D+01 -0.174270D+01 -0.472787D+00  0.161136D+01
      2   0.214630D+01 -0.643162D+01 -0.916850D+01  0.701614D+00 -0.340745D+00
      3  -0.143449D+01  0.672310D+01  0.614587D+01 -0.205458D+01  0.387306D+01
               201           202           203           204           205 
      1   0.145961D+01  0.382774D+00 -0.631638D+01 -0.532215D+01  0.395785D+00
      2  -0.264899D+00 -0.512249D+00  0.243781D+01  0.198099D+01 -0.994714D+00
      3   0.143559D+01  0.385389D+01 -0.139866D+02 -0.338084D+01  0.215584D+01
               206           207           208           209           210 
      1  -0.490723D+01 -0.309953D+01 -0.191953D+01 -0.249911D+01 -0.534314D+00
      2   0.239931D+01  0.127860D+01  0.581381D+01  0.447818D+01 -0.493826D+01
      3  -0.644761D+01 -0.323862D+01  0.700941D+01  0.581554D+01 -0.250256D+01
               211           212           213           214           215 
      1  -0.207120D+01 -0.262528D+01 -0.270902D+00  0.104343D+00  0.177956D+01
      2   0.398259D+01  0.674441D+01 -0.607508D+01 -0.299988D+01 -0.355406D+01
      3   0.637046D+01  0.860776D+01 -0.453194D+01 -0.146074D+01 -0.376653D+01
               216 
      1   0.226637D+00
      2   0.528736D+01
      3   0.337697D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.378257D+01 -0.618411D+01 -0.112459D+00 -0.355323D+01  0.313393D+01
      2  -0.985334D+00  0.878358D+01  0.415508D-01  0.585366D+01 -0.100868D+02
      3  -0.279724D+01 -0.259947D+01  0.709080D-01 -0.230043D+01  0.695286D+01
      4  -0.387658D+01 -0.501967D+01  0.155523D+00 -0.961812D+01  0.654525D+01
      5   0.115223D+01 -0.123064D+01 -0.314102D+01 -0.282109D+01  0.188540D+01
      6   0.136485D+01  0.149650D+01  0.502723D+01  0.250923D+01 -0.668994D+01
                 6             7             8             9            10 
      1   0.335706D+01  0.150454D+01  0.391442D+01  0.485647D+01 -0.226720D+02
      2  -0.231622D+01  0.238586D+01 -0.982928D+01  0.329265D+01  0.116223D+02
      3  -0.104084D+01 -0.389040D+01  0.591486D+01 -0.814912D+01  0.110497D+02
      4   0.267969D+01 -0.199735D+01  0.577269D+01  0.483068D+01  0.315202D+01
      5   0.280574D+01 -0.345250D+01  0.303405D+01 -0.149253D+02 -0.153717D+01
      6  -0.640244D+01  0.425422D+01 -0.493175D+01  0.185809D+02 -0.434787D+00
                11            12            13            14            15 
      1  -0.136261D+01  0.917439D+00  0.299255D+01  0.101747D+02  0.105077D+00
      2   0.278680D+01  0.204419D+01 -0.163121D+01 -0.547469D+01 -0.121093D+01
      3  -0.142419D+01 -0.296162D+01 -0.136133D+01 -0.470000D+01  0.110586D+01
      4   0.970160D+00  0.104107D+00  0.809690D+01  0.530139D+00 -0.265942D+01
      5  -0.356072D-01  0.103919D+01  0.110184D+01 -0.223075D+01 -0.476345D+01
      6   0.421044D+00  0.202501D+01 -0.849514D+00 -0.280177D+00 -0.457507D-02
                16            17            18            19            20 
      1  -0.456862D+01  0.146784D+01  0.127013D+02 -0.102024D+01  0.523081D+01
      2   0.276785D+01 -0.390601D+01  0.191385D+01 -0.476283D+00 -0.967504D+01
      3   0.180078D+01  0.243817D+01 -0.146151D+02  0.149652D+01  0.444423D+01
      4   0.193277D+01 -0.324735D+01 -0.273694D+01  0.560462D+00 -0.727704D+01
      5   0.554659D+01 -0.291936D+01  0.206786D+02  0.136916D+01  0.231617D+01
      6   0.570411D+00 -0.304697D+00  0.464041D+01 -0.173185D+00  0.340507D+01
                21            22            23            24            25 
      1  -0.113643D+01  0.193888D+01 -0.246768D+01 -0.314856D+01  0.140296D+01
      2   0.385294D+00 -0.647762D+01 -0.364178D+00  0.296702D+01  0.295350D+01
      3   0.751133D+00  0.453873D+01  0.283186D+01  0.181537D+00 -0.435646D+01
      4   0.110946D+01 -0.105294D+02 -0.439859D+01  0.175984D+01  0.322355D+01
      5  -0.359891D+01  0.136636D+01  0.324130D+01  0.739385D-01 -0.301061D+01
      6  -0.486995D+01  0.279437D+01  0.404178D+01 -0.176099D+01 -0.342856D+01
                26            27            28            29            30 
      1  -0.204246D+01 -0.186145D+01 -0.163286D+02  0.684106D+01 -0.189970D+01
      2   0.572551D+01  0.611780D+01  0.799461D+01 -0.706961D+01  0.205158D+01
      3  -0.368306D+01 -0.425635D+01  0.833399D+01  0.228545D+00 -0.151879D+00
      4   0.571074D+01 -0.424305D+00  0.167421D+01 -0.180577D+01  0.129168D+00
      5   0.954986D+00 -0.101107D+02 -0.245798D+01 -0.705571D+00 -0.139934D+01
      6   0.668847D+00 -0.139793D+02  0.159038D+00 -0.206395D+01 -0.601149D+00
                31            32            33            34            35 
      1   0.375113D+01  0.103391D+02 -0.279793D+01 -0.589747D+01  0.219989D+00
      2  -0.249689D+01 -0.108166D+02 -0.347519D+01  0.334441D+01 -0.892495D+00
      3  -0.125424D+01  0.477557D+00  0.627312D+01  0.255306D+01  0.672507D+00
      4  -0.202109D+01 -0.770301D+01 -0.485162D+01  0.435025D+01 -0.258870D+01
      5   0.161896D+01 -0.720407D+01 -0.723251D+01  0.249975D+00 -0.217368D+01
      6  -0.384247D+01  0.330687D+01 -0.265204D+00 -0.779124D+00  0.874653D+00
                36            37            38            39            40 
      1   0.154334D+02  0.115114D+02 -0.202679D+01  0.134433D+01 -0.635019D+00
      2   0.113145D+02 -0.715194D+01  0.110102D+01 -0.134289D+01  0.115153D+01
      3  -0.267479D+02 -0.435950D+01  0.925774D+00 -0.144005D-02 -0.516510D+00
      4  -0.273215D+01 -0.997685D+01  0.120221D+02 -0.341236D+00  0.116629D+02
      5   0.171399D+02  0.158971D+01  0.252456D+00  0.142123D+02 -0.918644D+00
      6   0.240052D+00  0.750264D+00  0.607960D+00  0.414031D+01  0.106590D+01
                41            42            43            44            45 
      1  -0.122702D+02  0.286913D+01  0.324365D+01  0.190169D+01 -0.511956D+01
      2   0.182050D+02  0.874870D+00 -0.372284D+01 -0.317363D+01 -0.221358D+01
      3  -0.593475D+01 -0.374400D+01  0.479196D+00  0.127193D+01  0.733314D+01
      4  -0.112686D+01  0.565488D+00 -0.520452D+01 -0.637803D+00 -0.197538D+01
      5   0.179373D+01  0.248920D+01  0.395898D+01 -0.159883D+01  0.138854D+01
      6  -0.301956D+00  0.560041D+01 -0.158064D+01  0.504691D+01  0.179718D+00
                46            47            48            49            50 
      1  -0.113723D+02  0.610733D+01  0.269584D+01 -0.184259D+01 -0.372458D+01
      2   0.984927D+01 -0.721464D+01  0.549898D+00 -0.472803D+01 -0.274406D+01
      3   0.152299D+01  0.110731D+01 -0.324574D+01  0.657062D+01  0.646864D+01
      4   0.674652D+01 -0.121164D+02 -0.130125D+01 -0.144228D+02 -0.711851D+01
      5   0.183452D+01 -0.111309D+00 -0.131307D+02  0.128108D+01  0.187671D+01
      6  -0.111119D-01  0.560191D+00 -0.765548D+01  0.236867D+00  0.445219D+01
                51            52            53            54            55 
      1  -0.394307D+01  0.328697D+01 -0.368656D+01  0.409550D+01 -0.134938D+02
      2  -0.355735D+00  0.303005D+01  0.701155D+01  0.141914D+02  0.600358D+01
      3   0.429880D+01 -0.631702D+01 -0.332499D+01 -0.182869D+02  0.749026D+01
      4   0.249291D+01  0.278640D+01  0.530316D+01 -0.150274D+00  0.202871D+02
      5   0.212545D+01 -0.579923D+01  0.104226D+01 -0.184855D+02  0.109540D+01
      6  -0.122283D+01 -0.362231D+01  0.135638D+01 -0.178861D+02  0.253217D+01
                56            57            58            59            60 
      1   0.226264D+01 -0.763962D+00  0.268989D+01 -0.232993D+02 -0.725589D+01
      2  -0.823910D+00  0.171216D+01 -0.596438D+01  0.394307D+02  0.600614D+01
      3  -0.143873D+01 -0.948199D+00  0.327449D+01 -0.161315D+02  0.124975D+01
      4   0.210421D+01  0.106187D+01  0.110928D+02 -0.199422D+02 -0.514718D+01
      5  -0.254956D+00  0.376303D+01  0.204112D+01 -0.379022D+01 -0.207466D+01
      6   0.108544D-01  0.306882D+00 -0.261279D+01  0.126091D+02  0.117866D+02
                61            62            63            64            65 
      1  -0.139310D+01 -0.874698D+01 -0.884702D+01  0.975899D+00  0.835286D+00
      2  -0.894217D+00  0.118690D+02  0.372250D+01 -0.299038D+01 -0.145654D+01
      3   0.228732D+01 -0.312206D+01  0.512452D+01  0.201448D+01  0.621258D+00
      4   0.671246D+01 -0.874506D+01 -0.578047D+01 -0.139299D+01  0.366067D+01
      5   0.596443D+01 -0.535032D+01 -0.354033D+01  0.440466D+01 -0.140856D+01
      6  -0.365745D+01  0.158238D+02  0.791828D+01 -0.385139D+01  0.650184D+00
                66            67            68            69            70 
      1   0.184294D+01  0.106764D+01 -0.345093D+01  0.291701D+01  0.137976D+01
      2  -0.236484D+01 -0.163690D+01  0.247092D+01 -0.289637D+01 -0.258446D+01
      3   0.521893D+00  0.569264D+00  0.980017D+00 -0.206387D-01  0.120470D+01
      4  -0.338740D+01  0.340094D+01 -0.271851D+01  0.268679D+01 -0.452324D+01
      5   0.769328D+01 -0.514809D+00  0.274555D+01 -0.133677D+01  0.630895D+01
      6  -0.220444D+01  0.116790D+01 -0.457433D+01  0.705394D+01 -0.341654D+01
                71            72            73            74            75 
      1   0.410422D+01 -0.113734D+02  0.464082D+02 -0.130833D+02  0.293577D+01
      2  -0.345421D+01 -0.105879D+02 -0.274518D+02  0.633472D+01 -0.240896D+01
      3  -0.650017D+00  0.219612D+02 -0.189564D+02  0.674854D+01 -0.526811D+00
      4   0.402204D+01 -0.370383D+01 -0.161211D+02  0.245441D+01  0.271098D+01
      5  -0.251548D+01  0.172133D+02  0.536011D+01  0.355725D+01  0.826047D+01
      6   0.683895D+01 -0.220080D+02  0.552022D+00  0.366032D+00 -0.161555D+01
                76            77            78            79            80 
      1  -0.280048D+02 -0.733752D+01  0.327181D+01  0.153083D+02  0.330428D+01
      2   0.150866D+02  0.698001D+01 -0.155460D+01 -0.809309D+01 -0.154722D+01
      3   0.129182D+02  0.357509D+00 -0.171722D+01 -0.721523D+01 -0.175705D+01
      4  -0.179771D+01 -0.195843D+02  0.573207D+01  0.325021D+01  0.754699D+01
      5   0.428365D+01  0.693344D+01 -0.458509D+01  0.105457D+02 -0.335419D+01
      6   0.160732D+01  0.163685D+01  0.362350D+01 -0.101855D+01  0.280876D+01
                81            82            83            84            85 
      1   0.268796D+01 -0.161511D-02  0.419577D+00 -0.550712D+01  0.759380D+00
      2  -0.568201D+01 -0.309821D+01 -0.975947D-01  0.119542D+01 -0.365874D+00
      3   0.299406D+01  0.309983D+01 -0.321983D+00  0.431170D+01 -0.393506D+00
      4  -0.313863D+01 -0.131538D+00  0.342371D-01 -0.277629D+00  0.179902D-01
      5   0.255106D+01 -0.270099D+01 -0.310779D+00  0.300577D+01 -0.260997D+00
      6   0.456292D+00 -0.834725D+00  0.330833D+00 -0.491722D+00 -0.240249D-01
                86            87            88            89            90 
      1  -0.505572D+01  0.165490D+01 -0.693692D+01  0.140333D+01 -0.164164D+02
      2   0.995081D+00  0.742076D-01  0.335353D+01  0.629269D+00 -0.131915D+02
      3   0.406064D+01 -0.172911D+01  0.358339D+01 -0.203260D+01  0.296079D+02
      4   0.138773D+01 -0.245934D+01 -0.935297D+00 -0.364593D+01  0.164153D+01
      5  -0.264426D+01  0.211979D+01  0.399437D+01  0.211663D+01 -0.210682D+02
      6  -0.153738D+01  0.679450D+01 -0.135873D+00  0.411535D+01 -0.469500D+01
                91            92            93            94            95 
      1   0.153198D+01 -0.159052D+01  0.180373D+01 -0.138084D+01 -0.713868D+00
      2  -0.305160D+01  0.246921D+01 -0.153305D+01  0.205914D+01 -0.114454D+01
      3   0.151962D+01 -0.878687D+00 -0.270679D+00 -0.678299D+00  0.185840D+01
      4   0.615647D+00  0.276756D+01  0.153156D+01  0.310462D+01  0.779236D+00
      5   0.361287D+01 -0.171480D+00  0.550275D+01  0.248694D-01  0.213021D+01
      6   0.230940D+01  0.276477D-01  0.153525D+01  0.452276D+00  0.192106D+01
                96            97            98            99           100 
      1  -0.148203D+01  0.152924D+01 -0.270360D+01 -0.820159D+01  0.107474D+02
      2   0.230136D+01 -0.323337D+01  0.426541D+01 -0.118184D+02 -0.171144D+01
      3  -0.819328D+00  0.170413D+01 -0.156181D+01  0.200200D+02 -0.903593D+01
      4   0.239660D+01  0.257419D+01  0.296279D+01  0.938493D+00  0.180477D+02
      5   0.695032D-02  0.568808D+01 -0.193544D+00  0.129389D+02 -0.447346D+01
      6   0.393597D+01  0.231337D+01  0.313147D+01  0.142944D+02 -0.582734D+01
               101           102           103           104           105 
      1  -0.843324D+01 -0.875104D+00 -0.382437D+01  0.711614D+01  0.614658D+01
      2   0.196532D+02  0.247995D+01  0.118945D+02 -0.615784D+01 -0.828353D+01
      3  -0.112200D+02 -0.160485D+01 -0.807016D+01 -0.958294D+00  0.213695D+01
      4   0.210495D+02 -0.397885D+01  0.177301D+02  0.121556D+02 -0.420115D+01
      5  -0.119740D+01  0.811970D+01 -0.117253D+01 -0.679780D+01  0.107863D+01
      6  -0.282958D+01  0.561159D+01 -0.247292D+01 -0.105768D+02  0.665372D+01
               106           107           108           109           110 
      1  -0.163705D+01  0.108045D+02 -0.179440D+01  0.113172D+02 -0.145005D+02
      2   0.409266D+00 -0.169430D+02 -0.227392D+01 -0.783481D+01  0.107095D+02
      3   0.122778D+01  0.613849D+01  0.406833D+01 -0.348243D+01  0.379098D+01
      4  -0.729793D+01 -0.967882D+01  0.621747D+01 -0.128715D+02 -0.143759D+02
      5   0.857212D+01  0.337513D+01 -0.350798D+01  0.795242D+01 -0.109381D+00
      6   0.751418D+01  0.961152D+01 -0.754472D+01 -0.178624D+01  0.541894D+01
               111           112           113           114           115 
      1   0.777132D+01 -0.152020D+02 -0.183289D+02  0.230893D+01  0.114819D+02
      2  -0.208213D+01  0.110033D+02  0.627011D+01 -0.531839D+01 -0.420867D+01
      3  -0.568919D+01  0.419865D+01  0.120588D+02  0.300946D+01 -0.727319D+01
      4  -0.212928D+01 -0.236433D+02  0.758047D+01  0.211511D+02 -0.399883D+01
      5  -0.852160D+01 -0.125701D+01  0.243458D+02  0.131027D+02 -0.247625D+02
      6   0.303134D+01  0.885135D+01 -0.852802D+01 -0.933854D+01  0.793478D+01
               116           117           118           119           120 
      1   0.225489D+01 -0.100282D+02  0.118510D+01 -0.241827D+00 -0.445218D+01
      2  -0.305484D+01  0.380865D+01 -0.452230D+01  0.219359D+00  0.130494D+01
      3   0.799949D+00  0.621950D+01  0.333720D+01  0.224687D-01  0.314724D+01
      4   0.193723D+02  0.165241D+02 -0.265838D+00  0.125135D+01  0.101621D+01
      5   0.162099D+02 -0.298793D+01 -0.357498D+01  0.128836D+00  0.559393D+01
      6  -0.151998D+02 -0.375961D+01  0.466369D+00  0.611725D+00 -0.158711D+00
               121           122           123           124           125 
      1   0.187093D+00 -0.517885D+01  0.684814D+00 -0.389052D+01  0.849889D+00
      2  -0.371142D+00  0.716783D+00  0.158497D+01  0.442404D+01  0.862563D+00
      3   0.184048D+00  0.446207D+01 -0.226978D+01 -0.533525D+00 -0.171245D+01
      4   0.123341D+01  0.167001D+01 -0.209962D+01  0.995138D+00 -0.234726D+01
      5  -0.503165D+00 -0.264376D+01  0.192165D+01  0.666694D+01  0.110127D+01
      6   0.169534D+00 -0.302645D+00  0.696050D+01  0.489491D+00  0.498644D+01
               126           127           128           129           130 
      1  -0.211544D+02  0.104908D+02 -0.638879D+01 -0.278178D+01 -0.601266D+00
      2  -0.181587D+02  0.473046D+00  0.175217D+02  0.380502D+01  0.932336D+01
      3   0.393132D+02 -0.109638D+02 -0.111329D+02 -0.102324D+01 -0.872210D+01
      4   0.157359D+01  0.162112D+02  0.213984D+02 -0.299371D+01  0.186534D+02
      5  -0.200741D+02 -0.228876D+01  0.666197D+00  0.715213D+01 -0.382983D+00
      6   0.242328D+01 -0.360179D+01  0.173401D+01  0.536683D+01  0.262893D+00
               131           132           133           134           135 
      1   0.967857D+01  0.969182D+01 -0.397440D+01  0.158900D+02  0.769621D+00
      2  -0.711403D+01 -0.127375D+02  0.352199D+00 -0.275896D+02 -0.551312D+01
      3  -0.256453D+01  0.304572D+01  0.362220D+01  0.116996D+02  0.474350D+01
      4   0.118976D+02 -0.511220D+01 -0.837210D+01 -0.143754D+02  0.439075D+01
      5  -0.648166D+01  0.409130D+00  0.747551D+01  0.852203D+00 -0.419613D+01
      6  -0.174552D+02  0.385232D+01  0.613287D+01  0.395034D+01 -0.944216D+01
               136           137           138           139           140 
      1   0.175788D+01 -0.423580D+00  0.210333D+01 -0.117246D+01 -0.202841D+01
      2  -0.495069D+01  0.581667D+00 -0.265767D+01  0.199830D+01 -0.918343D+00
      3   0.319280D+01 -0.158087D+00  0.554335D+00 -0.825840D+00  0.294675D+01
      4   0.115768D+01  0.327692D+01  0.330188D+01  0.306694D+01  0.602146D+00
      5   0.543346D+01  0.885554D+00  0.902763D+01 -0.433315D+00  0.303591D+01
      6   0.347805D+01  0.891593D+00  0.242037D+01  0.892443D+00  0.257228D+01
               141           142           143           144           145 
      1  -0.139457D+01  0.559389D+00 -0.274275D+01 -0.139276D+02  0.221381D+02
      2   0.382726D+01 -0.389052D+01  0.348587D+01 -0.176694D+02 -0.434113D+01
      3  -0.243269D+01  0.333113D+01 -0.743120D+00  0.315970D+02 -0.177969D+02
      4   0.243069D+01  0.506750D+01  0.498338D+01  0.205400D+01 -0.343011D+02
      5  -0.186322D+01  0.922527D+01  0.167139D+01  0.209159D+02 -0.579063D+01
      6   0.466293D+01  0.387494D+01  0.569655D+01  0.199742D+02  0.184275D+01
               146           147           148           149           150 
      1  -0.290383D+01 -0.378545D+00 -0.161032D+01  0.114628D+01  0.311909D+00
      2  -0.663254D+01 -0.347798D-01 -0.301941D+01  0.384285D+01 -0.292218D+00
      3   0.953637D+01  0.413325D+00  0.462974D+01 -0.498913D+01 -0.196908D-01
      4   0.182361D+02  0.323638D+01  0.984271D+01 -0.676451D+01 -0.641309D+00
      5   0.267990D+01  0.423091D+01  0.106960D+01 -0.439348D+00 -0.148845D+01
      6  -0.260214D+01 -0.472180D+01 -0.109142D+01  0.332278D+00  0.148986D+01
               151           152           153           154           155 
      1   0.109269D+01  0.250989D+00  0.790561D+00  0.281352D+02  0.130142D+02
      2   0.107166D-01 -0.851483D+00 -0.958193D+00 -0.142521D+02 -0.639200D+01
      3  -0.110341D+01  0.600494D+00  0.167632D+00 -0.138831D+02 -0.662224D+01
      4  -0.104192D+01  0.623793D+00 -0.327676D+01  0.139563D+02  0.130566D+02
      5   0.431794D+01 -0.198972D+01 -0.108532D+01 -0.539477D+01 -0.309481D+01
      6  -0.306116D+01  0.274317D+01  0.156296D+01 -0.113737D+01 -0.715671D+00
               156           157           158           159           160 
      1  -0.448245D+01  0.239735D+02  0.127264D+02 -0.354180D+01 -0.827081D+01
      2   0.214430D+01 -0.119712D+02 -0.443746D+01  0.185124D+01  0.495333D+01
      3   0.233815D+01 -0.120022D+02 -0.828895D+01  0.169056D+01  0.331748D+01
      4  -0.268219D+01  0.173683D+02  0.185902D+02 -0.458446D+01 -0.474509D+01
      5   0.610159D+01 -0.496061D+01 -0.517463D+01  0.537674D+01  0.802820D+01
      6   0.792837D+00 -0.158031D+01 -0.144575D+01  0.129917D+01  0.173392D+01
               161           162           163           164           165 
      1  -0.413804D+01  0.464519D+01 -0.204621D+01  0.781853D+01  0.570928D+00
      2   0.238195D+01 -0.361265D+01  0.358325D+01 -0.116515D+02 -0.157837D+01
      3   0.175608D+01 -0.103254D+01 -0.153704D+01  0.383293D+01  0.100744D+01
      4  -0.572360D+01  0.377972D+01 -0.153236D+01  0.635826D+00  0.105085D+01
      5   0.426650D+01 -0.320083D+01  0.594823D+00 -0.100613D+01 -0.876754D+00
      6   0.224894D+01 -0.130613D+01  0.139455D+01  0.408481D-01 -0.133230D+01
               166           167           168           169           170 
      1   0.376503D+01 -0.248471D+02 -0.221573D+01  0.105601D+01 -0.651983D+01
      2  -0.313867D+01  0.434330D+02  0.532447D+01 -0.974644D+00  0.110532D+02
      3  -0.626356D+00 -0.185858D+02 -0.310874D+01 -0.813671D-01 -0.453334D+01
      4   0.514341D+01  0.115261D+02  0.100076D+01  0.188858D+01  0.362542D+01
      5  -0.109654D+01  0.301652D+01  0.254623D+01  0.532374D+00  0.221808D+01
      6  -0.610662D+00  0.117401D+01  0.572163D+01 -0.635246D+00  0.622768D+01
               171           172           173           174           175 
      1  -0.433683D+01  0.288683D+02  0.871017D+01  0.386967D+01  0.117172D+02
      2   0.470647D+01 -0.176416D+02 -0.728412D+01 -0.551293D+01 -0.938050D+01
      3  -0.369645D+00 -0.112267D+02 -0.142604D+01  0.164326D+01 -0.233667D+01
      4   0.104813D+01 -0.329392D+01  0.135408D+02 -0.628117D+01  0.130674D+02
      5   0.640143D+00  0.153752D+02 -0.389313D+01  0.187882D+02 -0.187658D+01
      6   0.173859D+01 -0.266041D+00  0.733375D+01 -0.631758D+01  0.568408D+01
               176           177           178           179           180 
      1   0.126561D+02 -0.438716D+01  0.517638D+01 -0.622120D+01  0.701371D+01
      2  -0.527925D+01  0.161471D+01 -0.640172D+01  0.241401D+01 -0.170345D+02
      3  -0.737685D+01  0.277245D+01  0.122534D+01  0.380718D+01  0.100208D+02
      4   0.188727D+01  0.342799D+01 -0.600804D+01  0.239414D+00 -0.836768D+01
      5   0.448150D+01  0.344173D+01  0.275863D+02 -0.760699D+01  0.280392D+02
      6   0.293617D+01  0.193288D+01 -0.822809D+01  0.950730D+01 -0.418021D+01
               181           182           183           184           185 
      1   0.321580D+02  0.159782D+02 -0.689921D+01  0.243952D+02  0.132858D+02
      2  -0.173455D+02 -0.858591D+01  0.409381D+01 -0.135900D+02 -0.496150D+01
      3  -0.148125D+02 -0.739232D+01  0.280540D+01 -0.108052D+02 -0.832432D+01
      4   0.149012D+02  0.131153D+02 -0.258525D+01  0.160458D+02  0.207805D+02
      5  -0.106629D+02 -0.450823D+01  0.932744D+01 -0.695801D+01 -0.985685D+01
      6  -0.146076D+01 -0.248851D+01  0.196842D+00 -0.302058D+01 -0.261571D+01
               186           187           188           189           190 
      1  -0.393443D+01 -0.755730D+01 -0.198256D+01  0.647531D+01  0.125083D+02
      2   0.340596D+01  0.536956D+01  0.233985D+01 -0.548244D+01 -0.432665D+01
      3   0.528471D+00  0.218775D+01 -0.357291D+00 -0.992876D+00 -0.818166D+01
      4  -0.798195D+01 -0.226152D+01 -0.636195D+01  0.467756D+01 -0.132629D+02
      5   0.809243D+01  0.120957D+02  0.618398D+01 -0.631177D+01 -0.124299D+02
      6   0.256113D+01  0.807127D+00  0.358263D+01 -0.178020D+01  0.569093D+01
               191           192           193           194           195 
      1  -0.773305D+01 -0.825856D+01 -0.107534D+02  0.397698D+01  0.105671D+00
      2   0.174550D+01  0.406682D+01  0.129419D+01  0.867462D+01  0.286209D+01
      3   0.598755D+01  0.419174D+01  0.945917D+01 -0.126516D+02 -0.296776D+01
      4   0.140450D+02  0.695595D+01  0.236219D+02 -0.327347D+02 -0.173064D+02
      5   0.657657D+01  0.967588D+01  0.114951D+02 -0.185527D+02 -0.189908D+02
      6  -0.408276D+01 -0.374304D+01 -0.787726D+01  0.152419D+02  0.133783D+02
               196           197           198           199           200 
      1  -0.899080D+01  0.136678D+00  0.166018D+01 -0.146957D+01  0.903710D+01
      2   0.520991D+01  0.128633D+01 -0.257955D+01  0.342128D+01 -0.123963D+02
      3   0.378089D+01 -0.142301D+01  0.919363D+00 -0.195170D+01  0.335916D+01
      4   0.104194D+02 -0.151387D+02 -0.159037D+02  0.109272D+01  0.290669D+01
      5   0.158422D+02 -0.166265D+02 -0.222997D+02  0.741153D+00 -0.307167D+00
      6  -0.696970D+01  0.125083D+02  0.133633D+02  0.199946D+01 -0.341424D+01
               201           202           203           204           205 
      1   0.233125D+01  0.314450D+01 -0.292173D+02 -0.665024D+01  0.163475D+01
      2  -0.298352D+01 -0.126476D+01  0.509466D+02  0.107850D+02 -0.922445D+00
      3   0.652273D+00 -0.187974D+01 -0.217292D+02 -0.413475D+01 -0.712307D+00
      4   0.117187D+01  0.599787D+01  0.175939D+02  0.312183D+01  0.278425D+01
      5  -0.127165D-01  0.845067D-01  0.560711D+01  0.388075D+01  0.971204D+00
      6  -0.230707D+01 -0.312075D+00  0.137208D+02  0.903635D+01 -0.334407D+00
               206           207           208           209           210 
      1  -0.135112D+02 -0.762184D+01 -0.118350D+02 -0.101074D+02  0.708788D+01
      2   0.208965D+02  0.937170D+01  0.754593D+01  0.673563D+01 -0.223927D+01
      3  -0.738528D+01 -0.174985D+01  0.428910D+01  0.337182D+01 -0.484861D+01
      4   0.774657D+01  0.303704D+01 -0.419428D+00 -0.504142D+01  0.253748D+01
      5   0.514195D+01  0.255696D+01 -0.909050D+00  0.139752D+01 -0.568389D+01
      6   0.135077D+02  0.706032D+01 -0.315511D+01 -0.571034D+01  0.556429D+01
               211           212           213           214           215 
      1  -0.124395D+02 -0.135733D+02  0.724985D+01  0.559700D+01  0.571555D+01
      2   0.764747D+01  0.120531D+02 -0.488485D+01 -0.250171D+01 -0.305606D+01
      3   0.479201D+01  0.152016D+01 -0.236500D+01 -0.309529D+01 -0.265949D+01
      4   0.342728D+00 -0.104785D+02  0.589409D+01  0.401193D+00  0.458131D+01
      5  -0.121078D+01  0.472289D+01 -0.713612D+01  0.911772D+00 -0.288310D+01
      6  -0.310493D+01 -0.952218D+01  0.778024D+01  0.219893D+01  0.609012D+01
               216 
      1  -0.719942D+01
      2   0.158342D+01
      3   0.561600D+01
      4  -0.252296D+01
      5   0.602655D+01
      6  -0.573593D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136015D+01      0.345715D+01      0.115318D+02
   x         -0.950150D+00     -0.241504D+01     -0.805570D+01
   y         -0.753182D+00     -0.191440D+01     -0.638574D+01
   z         -0.616387D+00     -0.156670D+01     -0.522595D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929469D+02      0.137733D+02      0.153249D+02
   aniso      0.213822D+02      0.316851D+01      0.352545D+01
   xx         0.102931D+03      0.152528D+02      0.169710D+02
   yx         0.159990D+01      0.237081D+00      0.263788D+00
   yy         0.962713D+02      0.142659D+02      0.158730D+02
   zx        -0.238553D+01     -0.353498D+00     -0.393320D+00
   zy         0.473170D+00      0.701166D-01      0.780152D-01
   zz         0.796384D+02      0.118012D+02      0.131306D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.978256D+02      0.144963D+02      0.161293D+02
   aniso      0.201630D+02      0.298785D+01      0.332443D+01
   xx         0.107458D+03      0.159236D+02      0.177174D+02
   yx         0.956585D+00      0.141751D+00      0.157720D+00
   yy         0.100890D+03      0.149503D+02      0.166344D+02
   zx        -0.170479D+01     -0.252624D+00     -0.281082D+00
   zy         0.115312D+00      0.170874D-01      0.190123D-01
   zz         0.851294D+02      0.126149D+02      0.140359D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.39912675         -2.33431250         -0.04836402
     6         -2.30070132         -0.37188228          1.83434586
     6          0.29378760         -1.13896378         -2.03439620
     6          2.43542261          0.33495594         -0.77793958
     8          1.42932261          2.10928497          1.00144991
     6         -0.02703671          0.99390709          2.94675882
     8         -3.44426995         -3.50862369         -1.33194071
     1         -0.29941926         -3.76670575          0.97659628
     8         -3.71124891         -1.65924929          3.71916855
     1         -3.47132257          1.03635577          0.86578007
     1         -0.83204797          0.17328991         -3.17245860
     8          1.41355402         -3.01318805         -3.58987134
     6          3.98327536          1.87221410         -2.64395036
     1          3.68737216         -1.01074969          0.18802768
     8         -0.93666660          2.89708927          4.52422072
     1          1.15953638         -0.35088512          4.00280117
     1         -4.57680800         -4.18144818         -0.07174569
     1         -4.31416890         -0.42232833          4.91377704
     1          0.06420821         -4.05384447         -4.23818998
     8          2.52259535          3.76229577         -3.85298949
     1          4.69744744          0.62466809         -4.11594978
     1          5.59227212          2.70631076         -1.63962307
     1          0.46053870          3.65610318          5.41331163
     1          1.73239876          4.75285329         -2.54136350

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136015D+01      0.345715D+01      0.115318D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136015D+01      0.345715D+01      0.115318D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.929469D+02      0.137733D+02      0.153249D+02
   aniso      0.213822D+02      0.316851D+01      0.352545D+01
   xx         0.929163D+02      0.137688D+02      0.153198D+02
   yx         0.641705D+01      0.950909D+00      0.105803D+01
   yy         0.898541D+02      0.133150D+02      0.148149D+02
   zx        -0.885236D+01     -0.131178D+01     -0.145956D+01
   zy         0.481622D+01      0.713690D+00      0.794088D+00
   zz         0.960701D+02      0.142361D+02      0.158398D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.978256D+02      0.144963D+02      0.161293D+02
   aniso      0.201630D+02      0.298785D+01      0.332443D+01
   xx         0.973829D+02      0.144307D+02      0.160563D+02
   yx         0.642530D+01      0.952131D+00      0.105939D+01
   yy         0.955172D+02      0.141542D+02      0.157487D+02
   zx        -0.847098D+01     -0.125527D+01     -0.139668D+01
   zy         0.399081D+01      0.591376D+00      0.657995D+00
   zz         0.100577D+03      0.149039D+02      0.165829D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F15-09\Freq\RM11\Gen\C6H12O6\PIERPA\27-Sep-2021\0\\#P M11
 /Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Re
 ad Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-0.802701,1.185868
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 41121,-0.568017,-0.289807\H,1.08413,-0.152517,-1.704362\O,-1.593558,-2
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 5028,0.0554757,-0.0776498,0.5318508,-0.491035,0.2183993,0.1381657,0.20
 65914,-0.9038502,-0.1340669,0.165862,-0.1763689,-0.5091372,0.0129993,0
 .0103656,-0.0164657,0.0214712,-0.0242701,-0.0090493,-0.0066369,-0.0271
 311,-0.1584928,-1.0644728,0.0219309,0.0000134,0.0454041,-0.3821165,-0.
 0865413,-0.0444955,-0.0756549,-0.4210772,-0.0373739,0.0080187,-0.02967
 22,0.0169611,0.027097,0.0159155,-0.0508769,0.0219773,-0.1110607,0.0219
 227,-0.0419252,0.0005811,-0.035129,0.0021966,0.0207613,0.0130192,0.044
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 5426997,0.171059,-0.0783091,0.2116493,-0.4078948,0.1312665,-0.1668775,
 0.104734,-0.8243191,0.0135164,-0.0598663,0.0206485,-0.0848842,-0.00412
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 107,0.1054497,-0.1050016,-0.1217682,0.0154843,-0.0626104,-0.0984604,0.
 2924655,0.0798859,0.0698899,0.0441772,0.2767202,-0.0304369,0.0731901,-
 0.0453426,0.2317216,0.3038279,-0.1170552,0.0490552,-0.1210901,0.244139
 5,-0.0338073,0.0476416,-0.0393889,0.2718532\Polar=102.9309239,1.599902
 5,96.2713085,-2.3855257,0.47317,79.6383503\Quadrupole=-3.7960442,4.219
 8272,-0.423783,0.316374,-2.5440899,2.3184858\PG=C01 [X(C6H12O6)]\NImag
 =0\\0.52247322,-0.00213101,0.48530827,0.02398021,-0.02032033,0.5770104
 8,-0.09679859,-0.05119088,0.02060319,0.48882854,-0.02371402,-0.1391328
 8,0.03586652,0.01345868,0.50843979,0.01582203,0.03834486,-0.10035896,0
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 THE UNDERLYING PHYSICAL LAWS NECESSARY FOR THE 
 MATHEMATICAL THEORY OF A LARGE PART OF PHYSICS AND THE
 WHOLE OF CHEMISTRY ARE THUS COMPLETELY KNOWN, AND THE
 DIFFICULTY IS ONLY THAT THE EXACT APPLICATION OF THESE
 LAWS LEADS TO EQUATIONS MUCH TOO COMPLICATED 
 TO BE SOLUBLE.

                                        -- P. A. M. DIRAC, 1929
 Job cpu time:       0 days  7 hours 31 minutes 14.3 seconds.
 Elapsed time:       0 days  0 hours 56 minutes 32.7 seconds.
 File lengths (MBytes):  RWF=    419 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Mon Sep 27 12:09:19 2021.
